UCSF

ZINC56871256

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 No

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) -2.66 -0.52 -204.75 2 12 -3 191 342.184 4
Lo Low (pH 4.5-6) -2.66 -2.24 -46.57 4 12 -1 186 344.2 4

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

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