UCSF

ZINC34590370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 3.48 9.87 -44.69 3 5 1 60 433.37 5
Hi High (pH 8-9.5) 3.48 7.64 -10.82 2 5 0 59 432.362 5

Activity (Go SEA)

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