UCSF

ZINC35895172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 No

Popular Name: (3aS,4S,8aR,8bS)-2-[2-chloro-5-(trifluoromethyl)phenyl]-5'-ethyl-spiro[3a,6,7,8,8a,8b-hexahydropyrro (3aS,4S,8aR,8bS)-2-[2-chloro-5-(…

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) 4.60 12.58 -45.02 2 6 1 71 504.916 3 ↓
Mid Mid (pH 6-8) 4.60 10.13 -15.79 1 6 0 70 503.908 3 ↓

Activity (Go SEA)

Rings

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