UCSF

ZINC47511217

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 20 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) 1.98 9.55 -20.55 1 6 0 81 264.292 3
Lo Low (pH 4.5-6) 1.98 10.04 -37.07 2 6 1 83 265.3 3

Activity (Go SEA)

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