UCSF

ZINC22177004

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) -0.59 0.87 -54.33 4 4 1 74 229.325 4
Mid Mid (pH 6-8) -0.59 0.94 -65.69 3 4 0 76 228.317 4

Activity (Go SEA)

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