UCSF

ZINC39230457

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 2.22 10.91 -48.6 1 5 1 51 351.474 3
Mid Mid (pH 6-8) 2.22 10.45 -11.04 0 5 0 49 350.466 3
Lo Low (pH 4.5-6) 2.22 11.45 -90.49 2 5 2 52 352.482 3

Activity (Go SEA)

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