UCSF

ZINC49234909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 No

Popular Name: (3S)-3-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(1S)-2-imidazol-1-yl-1-…

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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) 0.11 7.35 -57.28 2 6 1 72 279.364 6 ↓
Hi High (pH 8-9.5) 0.11 6.29 -15.01 1 6 0 67 278.356 6 ↓
Mid Mid (pH 6-8) 0.11 6.8 -34.87 2 6 1 68 279.364 6 ↓
Lo Low (pH 4.5-6) 0.11 7.86 -111.89 3 6 2 73 280.372 6 ↓

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

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