UCSF

ZINC19432752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 3.09 6.64 -5.38 0 2 0 22 264.122 3
Lo Low (pH 4.5-6) 3.09 7.08 -36.83 1 2 1 23 265.13 3

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

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