UCSF

ZINC22659283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 35 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) 3.70 9.63 -23.9 2 10 0 113 483.569 11
Lo Low (pH 4.5-6) 3.70 9.91 -51.29 3 10 1 114 484.577 11

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

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