UCSF

ZINC54419380

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 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) -1.01 -1.01 -48.33 3 5 1 70 197.262 5
Lo Low (pH 4.5-6) -1.01 1.3 -117.02 4 5 2 71 198.27 5

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

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