UCSF

ZINC38737051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 38 Yes

Popular Name: [(4aR)-8-fluoro-1,3,4,4a-tetrahydropyrido[4,3-b]indol-2-yl]-[4-[5-amino-3-[3-(trifluoromethyl)phenyl [(4aR)-8-fluoro-1,3,4,4a-tetrahy…

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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) 3.77 13.23 -17.96 3 6 0 80 519.502 4 ↓
Mid Mid (pH 6-8) 3.77 13.31 -39.53 4 6 1 81 520.51 4 ↓

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

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