UCSF

ZINC22042514

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Popular Name: 1-Piperazinepropanol, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1); 10-(4-(3-Hydroxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate; 4-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate; LS-113320 1-Piperazinepropanol, 4-(10,11-d…

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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) 3.37 8.66 -42.6 2 3 1 28 355.527 4 ↓
Mid Mid (pH 6-8) 3.37 6.4 -6.4 1 3 0 27 354.519 4 ↓
Mid Mid (pH 6-8) 3.37 7.84 -38.97 2 3 1 28 355.527 4 ↓

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