UCSF

ZINC63746090

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 33 Yes

Popular Name: (1S,9aR)-N-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propyl]-2,3,4,9a-tetrahydro-1H-carbazole-1 (1S,9aR)-N-[3-[4-(5-chloro-2-met…

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) 5.17 13.24 -82.65 3 5 2 51 467.057 6 ↓
Mid Mid (pH 6-8) 5.17 11.03 -28.23 2 5 1 50 466.049 6 ↓

Activity (Go SEA)

Rings

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

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