UCSF

ZINC38569864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 No

Popular Name: (9aS)-N-[(2-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-9aH-pyrido[3,4-b]indole-3-carboxamide (9aS)-N-[(2-chlorophenyl)methyl]…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.04 9.06 -29.1 2 6 1 74 472.952 6 ↓
Lo Low (pH 4.5-6) 5.04 9.48 -83.77 3 6 2 76 473.96 6 ↓

Activity (Go SEA)

Rings

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

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