UCSF

ZINC31559725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 Yes

Popular Name: 1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-phenylpiperazine methanesulfonate; 10-(4-Phenylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate; LS-111591; Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-phenyl-, methanesulfonate (1 1-(10,11-Dihydrodibenzo(b,f)thie…

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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) 5.42 12.73 -5.37 0 2 0 6 372.537 2 ↓
Mid Mid (pH 6-8) 5.42 14.18 -42.03 1 2 1 8 373.545 2 ↓

Activity (Go SEA)

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