UCSF

ZINC09301917

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 39 No

Popular Name: 4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-tert-butylphenyl)- 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) 6.14 16.23 -74.98 1 6 0 74 526.677 10 ↓
Hi High (pH 8-9.5) 6.14 13.7 -59.97 0 6 -1 73 525.669 10 ↓
Mid Mid (pH 6-8) 6.59 15.55 -45.82 2 6 1 71 527.685 9 ↓
Mid Mid (pH 6-8) 5.56 2.54 -47.52 1 6 1 68 527.685 10 ↓

Activity (Go SEA)

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