UCSF

ZINC39268778

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) -1.16 -1.77 -12.69 2 7 0 96 167.128 0
Mid Mid (pH 6-8) -0.70 -3.79 -33.81 1 7 -1 100 166.12 0

Activity (Go SEA)

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