UCSF

ZINC28009725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 49 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) 0.55 3.08 -48.66 10 14 1 234 675.763 19
Mid Mid (pH 6-8) 0.55 2.74 -17.44 9 14 0 232 674.755 19

Activity (Go SEA)

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