UCSF

ZINC60645148

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 19 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) 1.38 7.62 -35.46 2 5 1 56 264.349 7
Lo Low (pH 4.5-6) 1.38 7.98 -86.79 3 5 2 57 265.357 7

Activity (Go SEA)

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