UCSF

ZINC39723978

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 24 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) 5.48 10.42 -13.27 1 4 0 55 485.226 5
Mid Mid (pH 6-8) 5.55 8.76 -42.69 0 4 -1 61 484.218 5

Activity (Go SEA)

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