UCSF

ZINC70004033

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 22 Yes

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

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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) 0.38 7.02 -55.45 2 6 1 68 320.442 5 ↓
Mid Mid (pH 6-8) 0.38 5.9 -14.58 1 6 0 63 319.434 5 ↓

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

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