UCSF

ZINC66863278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 24 Yes

Popular Name: 1-[3-(3,5-dimethylphenoxy)propyl]-4-(2-pyridyl)piperazine 1-[3-(3,5-dimethylphenoxy)propyl…

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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) 3.81 9.66 -30.52 1 4 1 30 326.464 6 ↓
Hi High (pH 8-9.5) 3.81 9.34 -7.18 0 4 0 29 325.456 6 ↓
Mid Mid (pH 6-8) 3.81 11.89 -95.93 2 4 2 31 327.472 6 ↓
Mid Mid (pH 6-8) 3.81 11.57 -42.84 1 4 1 30 326.464 6 ↓

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

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