UCSF

ZINC40497388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

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) 0.82 5.69 -52.29 2 6 1 71 324.788 5
Mid Mid (pH 6-8) 0.82 3.48 -11.45 1 6 0 70 323.78 5
Mid Mid (pH 6-8) 0.82 3.22 -11.52 1 6 0 70 323.78 5

Activity (Go SEA)

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