UCSF

ZINC16736906

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 No

Popular Name: (5S)-1-[3-(dibutylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5H-pyrrol- (5S)-1-[3-(dibutylamino)propyl]-…

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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) 5.20 14.32 -74.72 1 6 0 78 470.585 13 ↓
Mid Mid (pH 6-8) 5.64 13.23 -61.02 2 6 1 75 471.593 12 ↓
Mid Mid (pH 6-8) 4.61 14.23 -61.14 1 6 1 72 471.593 13 ↓

Activity (Go SEA)

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