UCSF

ZINC43438010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.52 4.94 -48.6 2 7 -1 108 287.336 10
Lo Low (pH 4.5-6) 1.52 3.62 -11.66 3 7 0 105 288.344 10

Activity (Go SEA)

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