UCSF

ZINC69927760

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

Popular Name: (6S)-N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-a (6S)-N-[(4-imidazol-1-ylphenyl)m…

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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) 0.47 9.65 -66.01 2 6 1 65 309.397 4 ↓
Mid Mid (pH 6-8) 0.47 8.49 -13.45 1 6 0 61 308.389 4 ↓
Lo Low (pH 4.5-6) 0.47 10.16 -105.91 3 6 2 66 310.405 4 ↓

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

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