UCSF

ZINC53916161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 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) 1.71 4.79 -44.5 2 6 -1 92 340.384 3
Mid Mid (pH 6-8) 1.25 6.12 -14.99 3 6 0 89 341.392 3

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

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