UCSF

ZINC20358058

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 No

Popular Name: (5R)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(2-methoxyphenyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5R)-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) 3.23 8.14 -60.86 0 8 -1 91 491.564 11 ↓
Mid Mid (pH 6-8) 3.23 10.46 -79.19 1 8 0 93 492.572 11 ↓
Lo Low (pH 4.5-6) 3.23 9.64 -54.97 2 8 1 90 493.58 11 ↓

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