UCSF

ZINC22006556

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 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) 4.56 9.21 -11.26 1 4 0 51 408.354 6
Lo Low (pH 4.5-6) 4.56 9.62 -36.54 2 4 1 52 409.362 6

Activity (Go SEA)

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