UCSF

ZINC16115973

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 34 No

Popular Name: (5S)-4-(4-allyloxy-2-methyl-benzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol- (5S)-4-(4-allyloxy-2-methyl-benz…

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Download: MOL2 SDF SMILES Flexibase

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) 3.42 12.65 -68.05 1 9 0 120 465.506 10 ↓
Hi High (pH 8-9.5) 3.42 10.12 -50.96 0 9 -1 119 464.498 10 ↓
Mid Mid (pH 6-8) 3.87 11.29 -64 2 9 1 117 466.514 9 ↓

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