UCSF

ZINC58330252

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 No

Popular Name: (2S)-2-but-3-enoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]propanamide (2S)-2-but-3-enoxy-N-[5-(2-pyrid…

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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) 1.30 6.67 -12.12 2 7 0 96 287.323 6 ↓
Mid Mid (pH 6-8) 1.31 5.46 -56.51 1 7 -1 99 286.315 7 ↓

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

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