UCSF

ZINC20259956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 2.79 6.32 -48.61 0 4 -1 59 235.259 5
Lo Low (pH 4.5-6) 2.79 5.2 -10.74 1 4 0 56 236.267 5

Activity (Go SEA)

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