UCSF

ZINC28258797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 17 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) 2.77 7.4 -45.12 0 4 -1 66 274.079 4
Mid Mid (pH 6-8) 2.02 7.41 -16.78 0 4 0 60 275.087 5

Activity (Go SEA)

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