UCSF

ZINC12217390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 35 Yes

Popular Name: 6-methyl-2-(o-tolylmethyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(4-pyridylmethyl)pyridine-3-ca 6-methyl-2-(o-tolylmethyl)-4-oxo…

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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) 2.75 -1.12 -28.86 1 7 0 84 472.589 9 ↓
Lo Low (pH 4.5-6) 2.75 -1 -70.38 2 7 1 86 473.597 9 ↓

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

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