UCSF

ZINC49086852

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) -0.80 4.31 -35.22 2 6 1 68 251.31 5
Mid Mid (pH 6-8) -0.80 3.86 -16.77 1 6 0 67 250.302 5

Activity (Go SEA)

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