UCSF

ZINC20615388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 5.63 7.65 -11.72 3 6 0 81 443.334 3
Mid Mid (pH 6-8) 5.63 8.42 -55.65 2 6 -1 84 442.326 3
Lo Low (pH 4.5-6) 5.63 8.27 -40.03 4 6 1 82 444.342 3

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

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