UCSF

ZINC69703606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: 1-[[(2S)-2-[(1R)-1-hydroxyethyl]-1-piperidyl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[[(2S)-2-[(1R)-1-hydroxyethyl]…

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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) 1.42 9.45 -43.05 2 7 1 77 342.423 3 ↓
Hi High (pH 8-9.5) 1.42 7.21 -13.15 1 7 0 76 341.415 3 ↓

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

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