UCSF

ZINC39228978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 2.55 11.33 -13.39 1 5 0 58 398.51 4
Lo Low (pH 4.5-6) 2.55 11.76 -42.89 2 5 1 59 399.518 4

Activity (Go SEA)

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