UCSF

ZINC39386350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 19 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) 1.22 6.78 -35.85 3 2 1 37 254.353 2
Mid Mid (pH 6-8) 1.22 5.58 -4.7 2 2 0 32 253.345 2

Activity (Go SEA)

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