UCSF

ZINC69843634

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: (2R)-1-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-(2-thienylmetho (2R)-1-[[(6S)-2-ethyl-5,6,7,8-te…

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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) 1.14 4.77 -57.79 3 6 1 77 337.469 8 ↓
Hi High (pH 8-9.5) 1.14 3.56 -12.42 2 6 0 72 336.461 8 ↓

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

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