UCSF

ZINC48344413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 Yes

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) 2.34 6.58 -7.96 1 5 0 55 342.439 5
Lo Low (pH 4.5-6) 2.34 8.52 -36.91 2 5 1 56 343.447 5

Activity (Go SEA)

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