UCSF

ZINC58539881

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 28 No

Popular Name: 1-[[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]py 1-[[(2S)-2-[(2-methoxyphenyl)met…

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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) 3.15 14.1 -55.85 1 6 1 49 398.556 5 ↓
Hi High (pH 8-9.5) 3.15 13.23 -27.22 0 6 0 48 397.548 5 ↓

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

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