UCSF

ZINC43426759

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.05 -2.2 -9.46 2 5 0 62 228.292 4
Lo Low (pH 4.5-6) 0.05 -0.21 -37.2 3 5 1 63 229.3 4

Activity (Go SEA)

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