UCSF

ZINC58568985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 32 Yes

Popular Name: 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-car 5-[(3S)-3-(dimethylamino)pyrroli…

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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) 5.06 16.38 -49.72 1 6 1 62 423.544 4 ↓
Mid Mid (pH 6-8) 5.06 13.97 -11.05 0 6 0 60 422.536 4 ↓

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

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