UCSF

ZINC38591064

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 Yes

Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea 1-[(3,4-dimethoxyphenyl)methyl]-…

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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) 2.53 7.89 -47.02 3 7 1 67 417.505 8 ↓
Mid Mid (pH 6-8) 2.53 5.7 -13.53 2 7 0 66 416.497 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.