UCSF

ZINC13276868

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 32 No

Popular Name: 4-chloro-3-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrro 4-chloro-3-[(2S)-2-(7-chloro-1,3…

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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) 3.98 10.79 -113.14 0 8 -2 119 474.252 5 ↓
Mid Mid (pH 6-8) 3.40 9.82 -64.67 0 8 -1 113 475.26 5 ↓
Mid Mid (pH 6-8) 3.98 8.47 -70.46 1 8 -1 116 475.26 4 ↓

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

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