UCSF

ZINC39124391

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 25 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) 2.62 6.61 -42.95 2 6 1 70 340.403 5
Hi High (pH 8-9.5) 2.62 5.54 -11.01 1 6 0 65 339.395 5

Activity (Go SEA)

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