UCSF

ZINC09071741

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 39 No

Popular Name: 4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-tert-butylphenyl)- 4-[(4-benzyloxy-2-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) 6.14 16.47 -72.07 1 6 0 74 526.677 10 ↓
Hi High (pH 8-9.5) 6.14 13.94 -59.21 0 6 -1 73 525.669 10 ↓
Mid Mid (pH 6-8) 5.56 2.66 -48.14 1 6 1 68 527.685 10 ↓

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