UCSF

ZINC39705526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.84 16.95 -8.24 1 6 0 57 412.847 5
Lo Low (pH 4.5-6) 5.84 17.38 -28.81 2 6 1 58 413.855 5

Activity (Go SEA)

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