UCSF

ZINC33828256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 Yes

Popular Name: 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1); LS-112302; VUFB10,053 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) 1.91 4.18 -16.72 1 4 0 44 402.585 4 ↓
Mid Mid (pH 6-8) 1.91 6.52 -39.91 2 4 1 45 403.593 4 ↓
Mid Mid (pH 6-8) 1.91 5.62 -36.54 2 4 1 45 403.593 4 ↓

Activity (Go SEA)

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