UCSF

ZINC55921736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2010 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) 2.84 8.96 -42.68 1 3 1 22 278.807 5
Mid Mid (pH 6-8) 2.84 7.15 -5.86 0 3 0 21 277.799 5

Activity (Go SEA)

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