UCSF

ZINC39328241

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) -2.38 2.16 -81.17 3 6 0 97 230.245 2
Mid Mid (pH 6-8) -2.38 1.82 -60.59 2 6 -1 96 229.237 2

Activity (Go SEA)

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