UCSF

ZINC52879314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 Yes

Popular Name: (1S)-1-(7-methyl-[1,2,4]triazolo[3,4-f]pyrimidin-3-yl)-1-phenyl-ethanamine (1S)-1-(7-methyl-[1,2,4]triazolo…

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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) 1.60 7.26 -56.05 3 5 1 71 254.317 2 ↓
Mid Mid (pH 6-8) 1.60 7.08 -10.2 2 5 0 69 253.309 2 ↓

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

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