UCSF

ZINC69969598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 Yes

Popular Name: (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6S)-N-[(4-methoxy-3,5-dimethyl-…

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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) 1.17 5.99 -52.34 2 6 1 69 302.402 4 ↓
Mid Mid (pH 6-8) 1.17 4.81 -10.24 1 6 0 65 301.394 4 ↓
Mid Mid (pH 6-8) 1.17 5.33 -39.29 2 6 1 66 302.402 4 ↓
Lo Low (pH 4.5-6) 1.17 5.77 -78.41 3 6 2 67 303.41 4 ↓

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

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