UCSF

ZINC06264328

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 30 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) -1.47 9.91 -32.29 3 8 1 106 403.466 6
Lo Low (pH 4.5-6) -1.47 10.35 -88.23 4 8 2 108 404.474 6

Activity (Go SEA)

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