UCSF

ZINC39031959

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 23 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) 5.08 14.49 -48.63 0 3 -1 57 317.449 14
Lo Low (pH 4.5-6) 5.08 12.51 -10.42 1 3 0 54 318.457 14

Activity (Go SEA)

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