UCSF

ZINC49516045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 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) 1.07 7.21 -49.44 1 5 1 43 297.81 2
Mid Mid (pH 6-8) 1.07 4.98 -12.93 0 5 0 41 296.802 2

Activity (Go SEA)

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