UCSF

ZINC43396511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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 3.8 -11.85 3 3 0 51 249.261 4
Lo Low (pH 4.5-6) 1.63 4.11 -44.02 4 3 1 52 250.269 4

Activity (Go SEA)

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