UCSF

ZINC49021265

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 2.55 6.27 -38.75 3 4 1 45 265.425 5
Lo Low (pH 4.5-6) 2.55 6.82 -110.76 4 4 2 50 266.433 5

Activity (Go SEA)

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