UCSF

ZINC20128978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Popular Name: (3S)-3-(3-pyrrolidin-1-ylpropylamino)indolin-2-one (3S)-3-(3-pyrrolidin-1-ylpropyla…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.38 5.95 -106.27 4 4 2 50 261.369 5 ↓
Hi High (pH 8-9.5) 1.38 2.15 -8.33 2 4 0 44 259.353 5 ↓
Mid Mid (pH 6-8) 1.38 4.67 -38.85 3 4 1 46 260.361 5 ↓
Mid Mid (pH 6-8) 1.38 3.43 -40.84 3 4 1 49 260.361 5 ↓

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

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