UCSF

ZINC43430000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.62 7.62 -28.3 2 5 0 75 275.352 5
Hi High (pH 8-9.5) 0.62 6.77 -52.65 1 5 -1 70 274.344 5

Activity (Go SEA)

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