UCSF

ZINC52503954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 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) 2.37 5.71 -38.12 2 3 1 33 308.393 9
Hi High (pH 8-9.5) 2.37 4.41 -3.69 1 3 0 28 307.385 9

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

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