UCSF

ZINC22041429

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:1); 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-1-piperazinepropanol maleate; 8-Chloro-10-(4-(3-hydroxybutyl)piperazino)-10 1-Piperazinepropanol, 4-(8-chlor…

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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) 4.02 9.2 -42.89 2 3 1 28 389.972 4 ↓
Mid Mid (pH 6-8) 4.02 8.47 -39.85 2 3 1 28 389.972 4 ↓
Mid Mid (pH 6-8) 4.02 6.89 -6.78 1 3 0 27 388.964 4 ↓

Activity (Go SEA)

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