UCSF

ZINC20606218

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 35 No

Popular Name: (5R)-1-allyl-3-hydroxy-4-(4-methoxybenzoyl)-5-[4-methoxy-3-(morpholinomethyl)phenyl]-5H-pyrrol-2-one (5R)-1-allyl-3-hydroxy-4-(4-meth…

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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) 2.71 7 -59.58 0 8 -1 91 477.537 9 ↓
Lo Low (pH 4.5-6) 2.71 8.62 -45.74 2 8 1 90 479.553 9 ↓
Lo Low (pH 4.5-6) 2.71 9.43 -75.59 1 8 0 93 478.545 9 ↓
Lo Low (pH 4.5-6) 2.71 6.18 -15.32 1 8 0 89 478.545 9 ↓

Activity (Go SEA)

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