UCSF

ZINC55062739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 No

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) 5.24 7.41 -5.99 2 3 0 45 322.452 4
Ref Reference (pH 7) 5.43 9.45 -35.07 2 3 1 46 323.46 5
Mid Mid (pH 6-8) 5.43 8.54 -1.9 1 3 0 41 322.452 5

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

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