UCSF

ZINC36776796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

Popular Name: (2S,3aS,7aS)-N-methyl-N-(4-pyridylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-methyl-N-(4-pyrid…

Find On: PubMed — Wikipedia — Google

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) 2.35 6.44 -40.85 2 4 1 50 274.388 3 ↓
Lo Low (pH 4.5-6) 2.35 6.9 -83.35 3 4 2 51 275.396 3 ↓

Activity (Go SEA)

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