UCSF

ZINC65575183

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 Yes

Popular Name: (2S)-2-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]-2-phenyl-1-pyrro (2S)-2-[[(6S)-3-methyl-5,6,7,8-t…

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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) 1.07 8.27 -16.26 1 6 0 63 339.443 4 ↓
Mid Mid (pH 6-8) 1.07 9.24 -56.81 2 6 1 68 340.451 4 ↓

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

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