UCSF

ZINC39228507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 Yes

Popular Name: (1S,2R)-2-[(9aS)-1,3,4,9a-tetrahydropyrido[3,4-b]indole-2-carbonyl]-N-(2-pyridylmethyl)cyclohexaneca (1S,2R)-2-[(9aS)-1,3,4,9a-tetrah…

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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) 2.98 9.87 -20.22 2 6 0 78 416.525 4 ↓
Lo Low (pH 4.5-6) 2.98 10.28 -44.58 3 6 1 79 417.533 4 ↓

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