UCSF

ZINC69512265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.74 6.02 -25.25 2 6 0 76 340.358 3
Lo Low (pH 4.5-6) 1.74 6.46 -47.89 3 6 1 77 341.366 3

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

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