UCSF

ZINC13693030

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

Popular Name: (5S)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol- (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) 1.81 8.61 -58.78 0 6 -1 86 422.461 5 ↓
Mid Mid (pH 6-8) 2.26 7.63 -31.82 1 6 0 83 423.469 4 ↓
Mid Mid (pH 6-8) 1.23 8.66 -22.32 0 6 0 80 423.469 5 ↓
Lo Low (pH 4.5-6) 2.26 7.91 -56.55 2 6 1 85 424.477 4 ↓
Lo Low (pH 4.5-6) 1.23 8.94 -56.01 1 6 1 81 424.477 5 ↓

Activity (Go SEA)

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