UCSF

ZINC26220980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 1.44 2.51 -13.52 3 6 0 83 330.384 8
Mid Mid (pH 6-8) 1.44 3.77 -43.62 4 6 1 87 331.392 8

Activity (Go SEA)

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