UCSF

ZINC49612979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 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) -0.05 1.99 -9.17 1 5 0 59 214.265 7
Mid Mid (pH 6-8) -0.05 4.24 -41.96 2 5 1 60 215.273 7

Activity (Go SEA)

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