UCSF

ZINC09271255

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-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) 4.44 12.1 -69.12 1 6 0 74 454.542 10 ↓
Hi High (pH 8-9.5) 4.44 9.56 -56.1 0 6 -1 73 453.534 10 ↓
Mid Mid (pH 6-8) 4.89 11.72 -45.12 2 6 1 71 455.55 9 ↓

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