UCSF

ZINC36612382

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 No

Popular Name: (2S)-1-allyl-4-hydroxy-3-(3-methoxybenzoyl)-2-[4-methoxy-3-(morpholinomethyl)phenyl]-2H-pyrrol-5-one (2S)-1-allyl-4-hydroxy-3-(3-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) 2.69 6.53 -62.2 0 8 -1 91 477.537 9 ↓
Lo Low (pH 4.5-6) 2.69 8.17 -52.58 2 8 1 90 479.553 9 ↓
Lo Low (pH 4.5-6) 2.69 8.92 -85.58 1 8 0 93 478.545 9 ↓
Lo Low (pH 4.5-6) 2.69 5.77 -16.72 1 8 0 89 478.545 9 ↓

Activity (Go SEA)

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