UCSF

ZINC69521272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 No

Popular Name: N,N-bis(cyanomethyl)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]propanamide N,N-bis(cyanomethyl)-3-[(2S)-2-[…

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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) -0.75 9.14 -52.55 1 8 1 103 330.416 7 ↓
Hi High (pH 8-9.5) -0.75 6.89 -21.75 0 8 0 102 329.408 7 ↓

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

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