UCSF

ZINC22041657

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-, maleate (1:1); 1-Piperazinepropanol, 4-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-, maleate (1:1) (salt); 4-(10,11-Dihydro-8-methyldibenz(b,f)oxepin-10-yl)-1-piperazinepropanol 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) 3.58 8.18 -41.55 2 4 1 37 353.486 4 ↓
Hi High (pH 8-9.5) 3.58 5.89 -6.8 1 4 0 36 352.478 4 ↓
Mid Mid (pH 6-8) 3.58 7.56 -38.58 2 4 1 37 353.486 4 ↓

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