UCSF

ZINC16741268

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

Popular Name: (5S)-5-(4-butoxy-3-methoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2 (5S)-5-(4-butoxy-3-methoxy-pheny…

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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) 2.87 8.17 -64.41 0 9 -1 105 497.568 12 ↓
Mid Mid (pH 6-8) 3.31 10.31 -70.68 2 9 1 103 499.584 11 ↓
Mid Mid (pH 6-8) 2.28 10.35 -69.93 1 9 1 100 499.584 12 ↓
Mid Mid (pH 6-8) 2.87 10.5 -84.45 1 9 0 106 498.576 12 ↓

Activity (Go SEA)

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