UCSF

ZINC22142119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 1.61 1.85 -41.05 3 3 1 40 209.313 5
Hi High (pH 8-9.5) 1.61 2.77 -63.62 2 3 0 43 208.305 5
Mid Mid (pH 6-8) 1.61 3.25 -38.29 3 3 1 37 209.313 5

Activity (Go SEA)

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