UCSF

ZINC63251818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 28 No

Popular Name: (1R,9aR)-N-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]-6-nitro-2,3,4,9a-tetrahydro-1H-carbazol-1-amine (1R,9aR)-N-[(1S)-2-(4-methoxyphe…

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) 4.65 10.65 -116.4 3 6 2 86 381.476 6 ↓
Mid Mid (pH 6-8) 4.65 9.39 -32.92 2 6 1 81 380.468 6 ↓

Activity (Go SEA)

Rings

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

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