UCSF

ZINC19433181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.57 1.15 -64.94 3 6 1 90 225.272 4
Hi High (pH 8-9.5) -0.57 2.2 -90.94 2 6 0 93 224.264 4
Hi High (pH 8-9.5) -0.57 -1.17 -22.58 2 6 0 89 224.264 4

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

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