UCSF

ZINC20150203

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 30 No

Popular Name: (5S)-5-(3-chlorophenyl)-1-(2-diethylaminoethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5H-pyr (5S)-5-(3-chlorophenyl)-1-(2-die…

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) 2.92 10.27 -64.35 1 6 0 78 447.988 8 ↓
Hi High (pH 8-9.5) 2.92 8.07 -54.58 0 6 -1 77 446.98 8 ↓
Lo Low (pH 4.5-6) 2.92 9.45 -46.72 2 6 1 75 448.996 8 ↓

Activity (Go SEA)

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