UCSF

ZINC65498317

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 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) 0.55 -0.78 -53.59 4 7 1 96 345.452 5
Lo Low (pH 4.5-6) 0.55 0.66 -123.99 5 7 2 101 346.46 5

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

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