UCSF

ZINC42766338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.37 5.68 -13.35 2 3 0 38 320.38 8
Lo Low (pH 4.5-6) 3.37 7.68 -37.22 3 3 1 40 321.388 8

Activity (Go SEA)

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