UCSF

ZINC69796634

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 Yes

Popular Name: 4-chloro-1-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]indoline-2,3-dione 4-chloro-1-[[(3S)-3-(morpholinom…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.19 5.33 -13.56 0 6 0 55 377.872 4 ↓
Mid Mid (pH 6-8) 2.19 7.62 -55.57 1 6 1 56 378.88 4 ↓
Mid Mid (pH 6-8) 2.19 7.37 -54.6 1 6 1 56 378.88 4 ↓

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

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