UCSF

ZINC39229407

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 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) 3.12 12.36 -99.56 4 6 2 66 443.595 6
Mid Mid (pH 6-8) 3.12 11.07 -48.09 3 6 1 62 442.587 6

Activity (Go SEA)

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