UCSF

ZINC62314742

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 25 No

Popular Name: (E)-3-(2-fluorophenyl)-1-[(3S,5R)-4-(3-methoxypropyl)-3,5-dimethyl-piperazin-1-yl]-2-methyl-prop-2-e (E)-3-(2-fluorophenyl)-1-[(3S,5R…

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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) 3.31 7.24 -11.44 0 4 0 33 348.462 6 ↓
Mid Mid (pH 6-8) 3.31 9.32 -45.29 1 4 1 34 349.47 6 ↓

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

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