UCSF

ZINC31350265

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 31 Yes

Popular Name: 1H-1,4-Diazepine, hexahydro-1-(2-hydroxyethyl)-4-(3-((2-trifluoromethylphenothiazinyl)-10)-propyl)-, dihydrochloride; 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, dihydrochloride; 1H-1,4-Diazepine-1-etha 1H-1,4-Diazepine, hexahydro-1-(2…

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Annotations

Vendors

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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) 4.78 9.7 -39.4 2 4 1 33 452.566 7 ↓
Lo Low (pH 4.5-6) 4.78 11.78 -130.53 3 4 2 34 453.574 7 ↓

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