UCSF

ZINC33825668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 Yes

Popular Name: 4-(7,8-Dihydrobenzo(b)naphtho(2,1-f)thiepin-7-yl)-4-methylpiperazine maleate; 7-(4-Methylpiperazino)-7,8-dihydrobenzo(b)naphtho(2,1-f)thiepin maleate; LS-111535; Piperazine, 4-(7,8-dihydrobenzo(b)naphtho(2,1-f)thiepin-7-yl)-4-methyl-, (Z)-2-butenedioate ( 4-(7,8-Dihydrobenzo(b)naphtho(2,…

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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) 4.89 12.72 -41.27 1 2 1 8 361.534 1 ↓
Hi High (pH 8-9.5) 4.89 10.35 -5.52 0 2 0 6 360.526 1 ↓

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