UCSF

ZINC69512282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 20 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) 2.52 5.51 -7.83 2 5 0 68 275.283 4
Lo Low (pH 4.5-6) 2.52 5.95 -33.55 3 5 1 70 276.291 4

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

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