UCSF

ZINC13278108

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 30 No

Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(2S)-3-(cyclopropanecarbonyl)…

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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) 3.53 11.33 -100.72 0 7 -2 113 438.486 5 ↓
Mid Mid (pH 6-8) 2.95 10.37 -58 0 7 -1 107 439.494 5 ↓
Mid Mid (pH 6-8) 3.53 9.12 -63.53 1 7 -1 111 439.494 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.