UCSF

ZINC22275865

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 32 No

Popular Name: (5S)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(2-methyl-4-propoxy-benzoyl)-5H-pyrrol- (5S)-5-(4-chlorophenyl)-1-(2-dim…

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) 4.40 12.66 -70.17 1 6 0 74 456.97 9 ↓
Hi High (pH 8-9.5) 4.40 10.13 -54.47 0 6 -1 73 455.962 9 ↓

Activity (Go SEA)

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