UCSF

ZINC22917375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 33 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) 3.41 9.33 -87.56 2 6 0 80 447.579 7
Lo Low (pH 4.5-6) 3.41 8.56 -52.52 3 6 1 77 448.587 7

Activity (Go SEA)

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