UCSF

ZINC00631308

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 No

Popular Name: (5R)-1-(5-carbethoxy-4-methyl-thiazol-2-yl)-5-(3-chlorophenyl)-2-keto-4-p-toluoyl-3-pyrrolin-3-olate (5R)-1-(5-carbethoxy-4-methyl-th…

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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) 4.90 13.05 -39.3 0 7 -1 100 495.964 7 ↓
Mid Mid (pH 6-8) 5.35 0.12 -32.41 1 7 0 96 496.972 6 ↓
Mid Mid (pH 6-8) 4.32 0.41 -24.43 0 7 0 93 496.972 7 ↓

Activity (Go SEA)

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