UCSF

ZINC38563712

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 Yes

Popular Name: 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(3,4,5-trimethoxyphenyl)-, monohydrochloride; 2-(4-Diphenylmethylpiperazinyl)-1-(3,4,5-trimethoxyphenyl)ethanol monohydrochloride; 4-(Diphenylmethyl)-alpha-(3,4,5-trimethoxyphenyl)-1-piperazineethanol monohydr 1-Piperazineethanol, 4-(diphenyl…

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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) 3.86 8.32 -10.34 1 6 0 54 462.59 9 ↓
Mid Mid (pH 6-8) 3.86 10.63 -51.62 2 6 1 56 463.598 9 ↓
Mid Mid (pH 6-8) 3.86 9.93 -43.48 2 6 1 56 463.598 9 ↓

Activity (Go SEA)

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