UCSF

ZINC22178582

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) -0.98 2.76 -51.3 2 4 1 50 206.269 1
Mid Mid (pH 6-8) -0.98 1.37 -8.29 1 4 0 45 205.261 1

Activity (Go SEA)

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