UCSF

ZINC16805799

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 35 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-5-(3-ethoxy-4-propoxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol (5S)-1-(3-dimethylaminopropyl)-5…

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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) 3.74 12.61 -75.35 1 7 0 83 484.568 12 ↓
Mid Mid (pH 6-8) 4.19 11.43 -63.08 2 7 1 81 485.576 11 ↓
Mid Mid (pH 6-8) 3.16 12.45 -63.32 1 7 1 77 485.576 12 ↓

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