UCSF

ZINC22807295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 3.66 2.97 -9.77 2 6 0 65 455.382 10
Mid Mid (pH 6-8) 3.66 5.3 -46.66 3 6 1 67 456.39 10

Activity (Go SEA)

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