UCSF

ZINC08987692

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(3-nitrophenyl)-pyrroli 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 4.48 13.4 -72.07 1 9 0 120 495.576 12 ↓
Mid Mid (pH 6-8) 4.48 13.78 -51.07 2 9 1 117 496.584 12 ↓
Mid Mid (pH 6-8) 3.90 14.11 -52.99 1 9 1 114 496.584 12 ↓

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