UCSF

ZINC22460979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 26 Yes

Popular Name: 1-Piperazineethanol, 4-(10,11-dihydro-7-ethyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2) (salt); 3-Ethyl-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate); LS-112285 1-Piperazineethanol, 4-(10,11-di…

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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) 3.99 8.74 -39.41 2 3 1 28 369.554 4 ↓
Mid Mid (pH 6-8) 3.99 7.16 -7.14 1 3 0 27 368.546 4 ↓
Mid Mid (pH 6-8) 3.99 9.56 -38.08 2 3 1 28 369.554 4 ↓

Activity (Go SEA)

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