UCSF

ZINC62460351

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 19 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[(4-isopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile (2S)-2-(cyclopropylamino)-4-[(4-…

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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) 0.95 4.89 -11.75 2 6 0 87 281.385 7 ↓
Mid Mid (pH 6-8) 0.95 5.84 -56.45 3 6 1 91 282.393 7 ↓

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

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