UCSF

ZINC22936548

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 16 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) 2.83 9.08 -117.55 3 2 2 21 226.408 5
Mid Mid (pH 6-8) 2.83 6.91 -36.83 2 2 1 20 225.4 5

Activity (Go SEA)

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