UCSF

ZINC57920961

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 2.22 5.63 -51.11 3 7 1 85 397.927 8
Mid Mid (pH 6-8) 2.22 3.39 -12.13 2 7 0 84 396.919 8

Activity (Go SEA)

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