UCSF

ZINC20122155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: (3S)-3-[[(2R)-2-dimethylamino-2-(2-furyl)ethyl]amino]indolin-2-one (3S)-3-[[(2R)-2-dimethylamino-2-…

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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) 1.54 4.6 -41.26 3 5 1 59 286.355 5 ↓
Mid Mid (pH 6-8) 1.54 3.97 -41.05 3 5 1 62 286.355 5 ↓
Mid Mid (pH 6-8) 1.54 2.64 -7.72 2 5 0 58 285.347 5 ↓
Lo Low (pH 4.5-6) 1.54 6.14 -121.05 4 5 2 63 287.363 5 ↓

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

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