UCSF

ZINC13730755

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(2-methoxyphenyl)-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) 1.65 7.78 -65.93 0 7 -1 95 434.497 6 ↓
Mid Mid (pH 6-8) 2.10 6.93 -20.26 1 7 0 93 435.505 5 ↓
Mid Mid (pH 6-8) 1.07 7.76 -19.68 0 7 0 89 435.505 6 ↓
Lo Low (pH 4.5-6) 2.10 7.21 -54.3 2 7 1 94 436.513 5 ↓
Lo Low (pH 4.5-6) 1.07 8.04 -57.33 1 7 1 91 436.513 6 ↓

Activity (Go SEA)

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