UCSF

ZINC18208855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 28 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) 3.49 9.72 -8.13 0 6 0 53 399.878 4
Ref Reference (pH 7) 3.49 9.71 -7.55 0 6 0 53 399.878 4
Mid Mid (pH 6-8) 3.49 10.5 -19.41 1 6 0 54 400.886 4
Mid Mid (pH 6-8) 3.49 10.5 -20.4 1 6 0 54 400.886 4

Activity (Go SEA)

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