UCSF

ZINC22871422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 24 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) 2.26 5.33 -13.39 2 5 0 67 342.42 4
Mid Mid (pH 6-8) 2.51 2.25 -38.08 3 5 1 76 343.428 4

Activity (Go SEA)

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