UCSF

ZINC39388381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 30 Yes

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) 2.79 10.91 -57.82 2 7 1 77 425.582 6
Mid Mid (pH 6-8) 2.79 9.03 -14.06 1 7 0 76 424.574 6

Activity (Go SEA)

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