UCSF

ZINC52254421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 2.44 5.06 -6.73 1 4 0 56 274.263 6
Hi High (pH 8-9.5) 2.44 5.56 -47.62 0 4 -1 59 273.255 6

Activity (Go SEA)

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