UCSF

ZINC01112809

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 No

Popular Name: (5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-[4-(methylthio)phenyl]-1-(3-pyridylmethyl)-3-py (5S)-4-(2,4-dimethylthiazole-5-c…

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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) 2.08 8.85 -16 1 6 0 83 451.573 6 ↓
Mid Mid (pH 6-8) 1.50 9.55 -21.7 0 6 0 80 451.573 6 ↓
Lo Low (pH 4.5-6) 2.53 8.81 -55.25 2 6 1 85 452.581 5 ↓
Lo Low (pH 4.5-6) 1.50 9.83 -54.87 1 6 1 81 452.581 6 ↓

Activity (Go SEA)

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