UCSF

ZINC20606222

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Substance Information

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

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

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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) 2.43 6.94 -61.08 0 8 -1 91 477.537 8 ↓
Lo Low (pH 4.5-6) 2.43 8.58 -46.87 2 8 1 90 479.553 8 ↓
Lo Low (pH 4.5-6) 2.43 6.12 -15.84 1 8 0 89 478.545 8 ↓
Lo Low (pH 4.5-6) 2.43 9.39 -77.81 1 8 0 93 478.545 8 ↓

Activity (Go SEA)

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