UCSF

ZINC19461157

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 25 Yes

Popular Name: (3S)-3-(1H-indol-3-yl)-N-(1-methylcyclobutyl)-3-(4-pyridyl)propanamide (3S)-3-(1H-indol-3-yl)-N-(1-meth…

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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) 2.85 8.45 -15.92 2 4 0 58 333.435 5 ↓
Lo Low (pH 4.5-6) 2.85 8.88 -42.41 3 4 1 59 334.443 5 ↓

Activity (Go SEA)

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