UCSF

ZINC49237069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 No

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) -0.29 2.09 -50.22 4 6 1 90 271.366 5
Hi High (pH 8-9.5) 0.63 -0.78 -13.84 3 6 0 92 270.358 4
Mid Mid (pH 6-8) -0.11 0.63 -43.11 3 6 0 96 270.358 5

Activity (Go SEA)

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