UCSF

ZINC05498748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 22 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) 2.09 7.83 -13.61 0 6 0 75 323.37 7
Lo Low (pH 4.5-6) 2.09 8.25 -39.19 1 6 1 76 324.378 7

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

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