UCSF

ZINC22064130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 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) -2.64 -4.62 -78.61 4 11 -1 179 416.384 5
Lo Low (pH 4.5-6) -2.64 -4.79 -58.2 5 11 0 183 417.392 5

Activity (Go SEA)

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