UCSF

ZINC40116535

Substance Information

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

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) 3.12 6.07 -56.84 1 5 -1 82 324.356 4
Mid Mid (pH 6-8) 3.12 5.31 -11.31 2 5 0 80 325.364 4

Activity (Go SEA)

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