UCSF

ZINC65605114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 24 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) -0.52 3 -57.79 4 8 1 100 340.448 5
Mid Mid (pH 6-8) -0.52 0.72 -24.14 3 8 0 99 339.44 5

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

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