UCSF

ZINC05637672

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 21 Yes

Popular Name: 3-(1H-indol-3-yl)-N-(4-pyridylmethyl)propanamide 3-(1H-indol-3-yl)-N-(4-pyridylme…

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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) 2.00 6.4 -10.97 2 4 0 58 279.343 5 ↓
Lo Low (pH 4.5-6) 2.19 4.43 -36.16 3 4 1 63 280.351 5 ↓
Lo Low (pH 4.5-6) 2.00 6.86 -42.76 3 4 1 59 280.351 5 ↓

Activity (Go SEA)

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