UCSF

ZINC57991455

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 31 No

Popular Name: 2-[prop-2-ynyl(p-tolylmethyl)amino]-N-[3-[(Z)-pyrrolidin-2-ylideneamino]sulfonylphenyl]acetamide 2-[prop-2-ynyl(p-tolylmethyl)ami…

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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) 2.89 8.64 -50.97 3 7 1 92 439.561 8 ↓
Mid Mid (pH 6-8) 2.89 6.66 -26.02 2 7 0 91 438.553 8 ↓
Mid Mid (pH 6-8) 2.89 6.61 -19.78 2 7 0 91 438.553 8 ↓

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

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