UCSF

ZINC22863385

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 25 Yes

Popular Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-; 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol; BRN 0900422; Docloxythepin; LS-112154; VUFB-10032 1-Piperazineethanol, 4-(2-chloro…

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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) 3.75 7.86 -39.2 2 3 1 28 375.945 3 ↓
Mid Mid (pH 6-8) 3.75 6.33 -6 1 3 0 27 374.937 3 ↓
Mid Mid (pH 6-8) 3.75 8.72 -37.67 2 3 1 28 375.945 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.