UCSF

ZINC16701294

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 32 No

Popular Name: (5R)-4-(4-allyloxy-3-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one (5R)-4-(4-allyloxy-3-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) 3.76 12.15 -78.61 1 6 0 74 434.536 10 ↓
Mid Mid (pH 6-8) 4.20 11.04 -60.6 2 6 1 71 435.544 9 ↓
Mid Mid (pH 6-8) 3.17 12.01 -63.74 1 6 1 68 435.544 10 ↓

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