UCSF

ZINC65563811

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 26 Yes

Popular Name: (6S)-3-methyl-N-[[2-(3-pyridylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridi (6S)-3-methyl-N-[[2-(3-pyridylme…

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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) 1.50 9.62 -59.7 2 6 1 69 350.446 6 ↓
Hi High (pH 8-9.5) 1.50 8.38 -14.22 1 6 0 65 349.438 6 ↓
Lo Low (pH 4.5-6) 1.50 10.09 -113.85 3 6 2 71 351.454 6 ↓

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

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