UCSF

ZINC43708050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -0.83 -0.5 -49.97 4 6 1 84 230.288 5
Hi High (pH 8-9.5) -0.83 -1.85 -11.04 3 6 0 79 229.28 5

Activity (Go SEA)

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