UCSF

ZINC01473872

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 33 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-2-keto-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-p-anisoyl-3-pyrrolin-3-olat (5S)-5-(3,4-dimethoxyphenyl)-2-k…

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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) 2.21 7.97 -43.5 0 9 -1 114 466.495 7 ↓
Mid Mid (pH 6-8) 2.65 0.11 -28.94 1 9 0 111 467.503 6 ↓
Mid Mid (pH 6-8) 1.63 0.38 -21.23 0 9 0 107 467.503 7 ↓

Activity (Go SEA)

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