UCSF

ZINC69964669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 0.95 3.45 -34.58 4 6 1 83 239.328 5
Mid Mid (pH 6-8) 0.95 3.07 -13.02 3 6 0 82 238.32 5
Lo Low (pH 4.5-6) 0.95 3.27 -108.8 5 6 2 85 240.336 5

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

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