UCSF

ZINC32254821

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 20 Yes

Popular Name: 2',3',4',5'-Tetrahydro-3',3'-dimethylspiro(cyclohexane-1,1'-(1H)pyrido(4,3-b)indole) HCl 2H2O; LS-145973; Spiro(cyclohexane-1,1'-(1H)pyrido(4,3-b)indole), 2',3',4',5'-tetrahydro-3',3'-dimethyl-, monohydrochloride, dihydrate 2',3',4',5'-Tetrahydro-3',3'-dim…

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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) 4.91 8.72 -34.67 3 2 1 32 269.412 0 ↓
Mid Mid (pH 6-8) 4.91 8.03 -3.98 2 2 0 28 268.404 0 ↓

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