UCSF

ZINC26162076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 21 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) 4.45 7.46 -17.64 2 5 0 59 351.248 3
Lo Low (pH 4.5-6) 4.45 7.54 -38.01 3 5 1 60 352.256 3

Activity (Go SEA)

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