UCSF

ZINC19802367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 Yes

Popular Name: 9-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 1/2H2O; LS-111098; Piperazine, 1-(9-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1) 9-Chloro-10-(4-methylpiperazino)…

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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) 4.36 12.63 -37.98 1 2 1 8 345.919 1 ↓
Mid Mid (pH 6-8) 4.36 10.17 -3.84 0 2 0 6 344.911 1 ↓
Mid Mid (pH 6-8) 4.36 10.5 -25.76 1 2 1 8 345.919 1 ↓

Activity (Go SEA)

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