UCSF

ZINC08894064

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 No

Popular Name: 1-(4,6-dimethylbenzothiazol-2-yl)-3-hydroxy-5-(4-isopropylphenyl)-4-(3-methoxybenzoyl)-5H-pyrrol-2-o 1-(4,6-dimethylbenzothiazol-2-yl…

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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) 6.98 14.68 -48.57 0 6 -1 83 511.623 6 ↓
Mid Mid (pH 6-8) 7.42 13.2 -32.02 1 6 0 80 512.631 5 ↓
Mid Mid (pH 6-8) 6.40 14.19 -24.29 0 6 0 77 512.631 6 ↓

Activity (Go SEA)

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