UCSF

ZINC22151898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.06 1.59 -13.56 3 5 0 68 263.341 4
Mid Mid (pH 6-8) 1.06 3.92 -49.77 4 5 1 69 264.349 4

Activity (Go SEA)

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