UCSF

ZINC43708866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.45 2.03 -65.13 4 7 1 93 294.331 5
Hi High (pH 8-9.5) -0.45 0.68 -23.25 3 7 0 89 293.323 5

Activity (Go SEA)

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