UCSF

ZINC20000048

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

Popular Name: N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-1-(3-fluorophenyl)-N-methyl-metha N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,…

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) 4.45 10.06 -127.68 3 2 2 21 278.415 4 ↓
Hi High (pH 8-9.5) 4.45 8.77 -41.25 2 2 1 16 277.407 4 ↓
Hi High (pH 8-9.5) 4.45 7.89 -35.41 2 2 1 20 277.407 4 ↓

Activity (Go SEA)

Rings

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

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