UCSF

ZINC39229123

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) 2.89 10.74 -33.8 2 5 1 59 351.474 4
Mid Mid (pH 6-8) 2.89 10.28 -9.48 1 5 0 58 350.466 4

Activity (Go SEA)

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