UCSF

ZINC43708098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -2.31 -2.96 -64.37 5 6 1 98 202.234 4
Hi High (pH 8-9.5) -2.31 -4.31 -19.63 4 6 0 93 201.226 4

Activity (Go SEA)

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