UCSF

ZINC06225715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 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) 3.56 10.25 -11.45 2 5 0 71 352.463 6
Hi High (pH 8-9.5) 3.56 10.05 -48.29 1 5 -1 69 351.455 6

Activity (Go SEA)

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