UCSF

ZINC21538323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 Yes

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) 5.27 15.19 -12.71 0 6 0 56 480.612 6
Mid Mid (pH 6-8) 2.79 16.94 -21.45 1 6 0 66 480.612 6
Mid Mid (pH 6-8) 2.79 14.77 -47.73 2 6 1 67 481.62 6

Activity (Go SEA)

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