UCSF

ZINC39886212

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 No

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) 2.30 1.15 -16.33 4 8 0 135 419.484 5
Mid Mid (pH 6-8) 2.76 -0.39 -45.56 3 8 -1 138 418.476 5

Activity (Go SEA)

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