UCSF

ZINC05825444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 31 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) 5.39 8.61 -13.49 2 6 0 76 417.509 7
Mid Mid (pH 6-8) 5.39 9.09 -29.64 3 6 1 77 418.517 7

Activity (Go SEA)

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