UCSF

ZINC05331538

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 3.51 10.84 -3.88 0 2 0 16 264.372 3
Lo Low (pH 4.5-6) 3.51 11.12 -32.38 1 2 1 17 265.38 3

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

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