UCSF

ZINC65577216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 26 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) 2.94 5.23 -10.26 1 6 0 56 371.359 7
Lo Low (pH 4.5-6) 2.94 7.49 -52.26 2 6 1 57 372.367 7

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

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