UCSF

ZINC41628674

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 No

Popular Name: (3R)-5-(2-aminothiazol-4-yl)-3-ethyl-indolin-2-one (3R)-5-(2-aminothiazol-4-yl)-3-e…

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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) 1.96 4.29 -9.3 3 4 0 68 259.334 2 ↓
Hi High (pH 8-9.5) 1.96 4.36 -36.04 2 4 -1 66 258.326 2 ↓
Lo Low (pH 4.5-6) 1.96 4.66 -37.93 4 4 1 69 260.342 2 ↓
Lo Low (pH 4.5-6) 1.96 4.66 -37.92 4 4 1 69 260.342 2 ↓

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

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