UCSF

ZINC58543977

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 24 Yes

Popular Name: (4aS,9bS)-2,8-dimethyl-N-(3-pyridyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide (4aS,9bS)-2,8-dimethyl-N-(3-pyri…

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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) 2.67 9.17 -45.93 2 5 1 50 323.42 1 ↓
Lo Low (pH 4.5-6) 2.67 9.7 -82.73 3 5 2 51 324.428 1 ↓

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

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