UCSF

ZINC55017510

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 No

Popular Name: (3S)-3-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-3-phenyl-propanenitrile (3S)-3-[[(3S)-1,1-dioxothiolan-3…

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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) 0.14 4.93 -68.47 2 4 1 75 279.385 5 ↓
Mid Mid (pH 6-8) 0.14 3.67 -15.94 1 4 0 70 278.377 5 ↓

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

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