UCSF

ZINC60048060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.04 11.19 -135.09 0 4 -2 80 254.326 10
Lo Low (pH 4.5-6) 4.04 9.05 -49.37 1 4 -1 77 255.334 10
Lo Low (pH 4.5-6) 4.04 9.2 -56.3 1 4 -1 77 255.334 10

Activity (Go SEA)

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