UCSF

ZINC28823252

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 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) 2.22 10.46 -11.34 0 3 0 39 291.35 2
Lo Low (pH 4.5-6) 2.22 10.77 -42.89 1 3 1 40 292.358 2

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

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