UCSF

ZINC01451926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 35 No

Popular Name: (5R)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-ethoxybenzoyl)-2-keto-5-(2-pyridyl)-3-pyrrolin-3-ol (5R)-1-(4,6-dimethyl-1,3-benzoth…

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) 4.70 11.39 -67.21 0 7 -1 95 484.557 6 ↓
Mid Mid (pH 6-8) 5.14 10.07 -35.47 1 7 0 93 485.565 5 ↓
Mid Mid (pH 6-8) 4.11 11.05 -27.57 0 7 0 89 485.565 6 ↓
Lo Low (pH 4.5-6) 5.14 10.35 -62.76 2 7 1 94 486.573 5 ↓
Lo Low (pH 4.5-6) 4.11 11.34 -53.18 1 7 1 91 486.573 6 ↓

Activity (Go SEA)

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