UCSF

ZINC09312131

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 39 No

Popular Name: 4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxy 4-[(4-benzyloxy-3-methyl-phenyl)…

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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) 4.05 11.49 -75.71 2 8 0 104 530.621 11 ↓
Mid Mid (pH 6-8) 3.46 0.22 -51.48 2 8 1 97 531.629 11 ↓
Mid Mid (pH 6-8) 4.49 11.75 -54.95 3 8 1 101 531.629 10 ↓

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