UCSF

ZINC43220701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 10 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) 1.49 3.88 -28.97 2 2 1 30 133.174 0
Hi High (pH 8-9.5) 1.49 3.43 -6.91 1 2 0 29 132.166 0

Activity (Go SEA)

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