UCSF

ZINC22171143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 25 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) 5.39 9.85 -16.41 1 4 0 51 352.459 5
Mid Mid (pH 6-8) 5.39 9.46 -45.3 0 4 -1 53 351.451 5

Activity (Go SEA)

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