UCSF

ZINC13691042

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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-(4-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) 1.70 7.84 -62.07 0 7 -1 95 434.497 6 ↓
Mid Mid (pH 6-8) 2.15 6.81 -31.68 1 7 0 93 435.505 5 ↓
Mid Mid (pH 6-8) 1.12 7.79 -23.05 0 7 0 89 435.505 6 ↓
Lo Low (pH 4.5-6) 2.15 7.09 -55.54 2 7 1 94 436.513 5 ↓
Lo Low (pH 4.5-6) 1.12 8.07 -56.42 1 7 1 91 436.513 6 ↓

Activity (Go SEA)

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