UCSF

ZINC13682850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 No

Popular Name: (NE)-N-(1-ethyl-2-hydroxy-indol-3-yl)imino-1-sulfanyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]formamid (NE)-N-(1-ethyl-2-hydroxy-indol-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 7.15 -14.52 2 6 0 68 332.429 6 ↓
Ref Reference (pH 7) 3.26 5.63 -33.43 3 6 1 75 333.437 5 ↓
Ref Reference (pH 7) 2.31 7.01 -13.27 2 6 0 68 332.429 6 ↓
Hi High (pH 8-9.5) 3.26 5.97 -49.16 1 6 -1 76 331.421 5 ↓
Hi High (pH 8-9.5) 3.26 5.42 -46.59 1 6 -1 76 331.421 5 ↓
Mid Mid (pH 6-8) 3.26 4.56 -32.99 2 6 0 73 332.429 5 ↓
Mid Mid (pH 6-8) 3.26 5.19 -24.37 2 6 0 73 332.429 5 ↓
Mid Mid (pH 6-8) 3.26 4.71 -44.76 2 6 0 73 332.429 5 ↓
Mid Mid (pH 6-8) 3.26 5.38 -29.36 3 6 1 75 333.437 5 ↓
Lo Low (pH 4.5-6) 3.26 4.2 -25.03 3 6 1 75 333.437 5 ↓
Lo Low (pH 4.5-6) 3.26 5.52 -16.8 2 6 0 73 332.429 5 ↓
Lo Low (pH 4.5-6) 3.26 3.98 -26.68 3 6 1 75 333.437 5 ↓
Lo Low (pH 4.5-6) 3.26 3.17 -20.76 2 6 0 73 332.429 5 ↓
Lo Low (pH 4.5-6) 3.26 5.03 -21.1 2 6 0 73 332.429 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.