UCSF

ZINC23042605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 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) 3.44 4.24 -15.74 2 6 0 85 420.796 6
Mid Mid (pH 6-8) 3.44 4.27 -43.51 1 6 -1 87 419.788 6

Activity (Go SEA)

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