UCSF

ZINC55079581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 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) 1.18 5.01 -87.26 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 1.18 3.49 -32.02 2 3 1 20 226.388 3
Hi High (pH 8-9.5) 1.18 1.49 -0.89 1 3 0 19 225.38 3
Hi High (pH 8-9.5) 1.18 3.04 -37.79 2 3 1 23 226.388 3

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

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