UCSF

ZINC44126816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 13 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) 1.63 6.84 -122.78 0 4 -2 80 186.207 6
Mid Mid (pH 6-8) 1.63 4.87 -44.7 1 4 -1 77 187.215 6

Activity (Go SEA)

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