UCSF

ZINC37468751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) -1.83 -0.76 -40.6 5 4 1 77 209.269 5
Hi High (pH 8-9.5) -1.83 -1.09 -8.5 4 4 0 75 208.261 5

Activity (Go SEA)

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