UCSF

ZINC13005336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 16 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) 2.95 5.2 -10.94 3 3 0 55 249.726 1
Lo Low (pH 4.5-6) 2.95 5.44 -32.03 4 3 1 56 250.734 1

Activity (Go SEA)

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