UCSF

ZINC37811211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Popular Name: (2R)-1-[(4S,4aR,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-ethanon (2R)-1-[(4S,4aR,8aS)-4-methyl-3,…

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) 1.43 7.23 -42.56 3 3 1 48 287.427 2 ↓
Mid Mid (pH 6-8) 1.43 6.9 -6.47 2 3 0 46 286.419 2 ↓

Activity (Go SEA)

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