UCSF

ZINC22149379

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) 0.96 -1.57 -41.15 4 4 1 60 211.285 5
Hi High (pH 8-9.5) 0.96 -0.77 -34.63 3 4 0 63 210.277 5
Mid Mid (pH 6-8) 0.96 -0.49 -40.57 4 4 1 57 211.285 5

Activity (Go SEA)

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