UCSF

ZINC20135285

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(2-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…

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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) 2.96 7.36 -59.91 0 8 -1 91 477.537 10 ↓
Mid Mid (pH 6-8) 2.96 9.7 -73.56 1 8 0 93 478.545 10 ↓
Lo Low (pH 4.5-6) 2.96 8.88 -54.53 2 8 1 90 479.553 10 ↓

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