UCSF

ZINC66189506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 Yes

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) 5.00 9.51 -6.12 2 3 0 33 336.41 8
Lo Low (pH 4.5-6) 5.00 10.12 -39.21 3 3 1 38 337.418 8

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

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