UCSF

ZINC88466335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 22 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) -3.16 -6.67 -139.37 6 12 -2 209 336.197 5
Mid Mid (pH 6-8) -3.16 -7.83 -50.7 7 12 -1 206 337.205 5
Lo Low (pH 4.5-6) -3.16 -7.33 -58.83 8 12 0 207 338.213 5

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

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