UCSF

ZINC54426063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.47 9.9 -40.04 4 6 1 77 322.392 4
Mid Mid (pH 6-8) 3.34 9.45 -17.2 3 6 0 77 321.384 4

Activity (Go SEA)

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