UCSF

ZINC49525696

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 18 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) 2.84 6.11 -50.49 1 3 -1 60 249.33 3
Lo Low (pH 4.5-6) 2.84 4.16 -6.67 2 3 0 58 250.338 3

Activity (Go SEA)

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