UCSF

ZINC39230591

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Substance Information

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

Popular Name: (1S,9aS)-2-(o-tolylmethyl)-1-[4-(trifluoromethyl)phenyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (1S,9aS)-2-(o-tolylmethyl)-1-[4-…

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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) 6.64 12.74 -6.64 1 2 0 19 420.478 4 ↓
Mid Mid (pH 6-8) 6.64 14.83 -43.74 2 2 1 20 421.486 4 ↓

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