UCSF

ZINC62536995

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(3,5…

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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) -2.17 6.39 -40.18 2 6 0 87 238.291 6 ↓
Hi High (pH 8-9.5) -2.17 5.45 -46.87 1 6 -1 83 237.283 6 ↓
Lo Low (pH 4.5-6) -2.17 6.82 -68.36 3 6 1 89 239.299 6 ↓

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

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