UCSF

ZINC36134047

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 0.57 1.6 -9.68 1 4 0 44 248.754 6
Lo Low (pH 4.5-6) 0.57 3.9 -42.4 2 4 1 45 249.762 6

Activity (Go SEA)

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