UCSF

ZINC24988221

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 30 No

Popular Name: [3-oxo-3-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]propyl]sulfanylmethylBLAHone [3-oxo-3-[(2R)-2-(3-pyridyl)pyrr…

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Download: MOL2 SDF SMILES Flexibase

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) 2.37 10.75 -18.75 1 6 0 79 440.594 6 ↓
Lo Low (pH 4.5-6) 2.37 11.22 -44.6 2 6 1 80 441.602 6 ↓

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

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