UCSF

ZINC58310105

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 Yes

Popular Name: ethyl ethyl

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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) 2.27 4.32 -13.52 1 7 0 98 391.474 7 ↓
Hi High (pH 8-9.5) 2.27 3.96 -42.85 0 7 -1 100 390.466 7 ↓
Mid Mid (pH 6-8) 2.27 4.73 -45.92 2 7 1 100 392.482 7 ↓
Lo Low (pH 4.5-6) 2.27 4.81 -46.7 2 7 1 103 392.482 7 ↓
Lo Low (pH 4.5-6) 2.27 4.37 -32.58 1 7 0 102 391.474 7 ↓

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

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