UCSF

ZINC08905224

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 5-(2,5-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-p 5-(2,5-dimethoxyphenyl)-1-(2-dim…

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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) 2.88 8.6 -74.43 1 8 0 93 454.523 9 ↓
Hi High (pH 8-9.5) 2.88 6.07 -61.74 0 8 -1 91 453.515 9 ↓
Mid Mid (pH 6-8) 2.30 9.14 -47.02 1 8 1 87 455.531 9 ↓
Mid Mid (pH 6-8) 3.33 9.3 -47.04 2 8 1 90 455.531 8 ↓

Activity (Go SEA)

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