UCSF

ZINC39227918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 5.79 11.89 -36.87 3 6 1 68 476.984 6
Mid Mid (pH 6-8) 5.79 10.32 -11.32 2 6 0 67 475.976 6

Activity (Go SEA)

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