UCSF

ZINC56528411

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.38 6.58 -14.46 2 5 0 63 313.401 7
Lo Low (pH 4.5-6) 3.38 6.94 -40.62 3 5 1 64 314.409 7

Activity (Go SEA)

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