UCSF

ZINC22177629

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 No

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) -1.78 0.42 -68.74 6 6 1 109 238.267 4
Hi High (pH 8-9.5) -1.78 0.13 -27.64 5 6 0 107 237.259 4

Activity (Go SEA)

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