UCSF

ZINC53376866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 Yes

Popular Name: N-cyclopentyl-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-cyclopentyl-N-methyl-N'-[[(2S)…

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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) 1.55 5.04 -32.25 2 3 1 26 227.372 6 ↓
Hi High (pH 8-9.5) 1.55 2.76 -2.94 1 3 0 24 226.364 6 ↓
Mid Mid (pH 6-8) 1.55 6.46 -109.37 3 3 2 30 228.38 6 ↓
Mid Mid (pH 6-8) 1.55 4.19 -35.25 2 3 1 29 227.372 6 ↓

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Rings

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

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