UCSF

ZINC22149219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) -0.40 -0.83 -55.89 1 8 -1 104 316.359 6
Mid Mid (pH 6-8) -0.40 1.51 -74.91 2 8 0 105 317.367 6

Activity (Go SEA)

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