UCSF

ZINC57998510

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 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) 2.52 8.45 -25.65 1 6 0 67 370.497 5
Mid Mid (pH 6-8) 2.52 8.89 -47.19 2 6 1 68 371.505 5

Activity (Go SEA)

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