UCSF

ZINC43393045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 12 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) 2.25 5.24 -43.41 3 1 1 28 162.256 1
Hi High (pH 8-9.5) 2.25 4.91 -2.5 2 1 0 26 161.248 1

Activity (Go SEA)

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