UCSF

ZINC43437226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 3.71 7.41 -11.19 3 4 0 64 294.468 5
Lo Low (pH 4.5-6) 3.71 6.99 -11.46 4 4 0 65 295.476 5

Activity (Go SEA)

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