UCSF

ZINC39869816

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.44 1.99 -53.67 3 6 -1 107 338.368 4
Mid Mid (pH 6-8) 2.44 2.69 -17.09 4 6 0 105 339.376 4

Activity (Go SEA)

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