UCSF

ZINC20126794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Popular Name: (3S)-3-(2-pyrrolidin-1-ylethylamino)indolin-2-one (3S)-3-(2-pyrrolidin-1-ylethylam…

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Vendors

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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) 1.10 4.02 -34.54 3 4 1 46 246.334 4 ↓
Hi High (pH 8-9.5) 1.10 1.57 -5.46 2 4 0 44 245.326 4 ↓
Mid Mid (pH 6-8) 1.10 2.64 -40.58 3 4 1 49 246.334 4 ↓
Mid Mid (pH 6-8) 1.10 5.16 -114.59 4 4 2 50 247.342 4 ↓

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

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