UCSF

ZINC21968538

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 0.63 5.16 -42.74 3 4 1 51 234.323 1
Mid Mid (pH 6-8) 0.63 2.77 -6.81 2 4 0 50 233.315 1

Activity (Go SEA)

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