UCSF

ZINC20503150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 40 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) 6.37 16.61 -9.79 0 5 0 30 530.716 6
Mid Mid (pH 6-8) 6.37 18.33 -45.83 1 5 1 31 531.724 6

Activity (Go SEA)

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