UCSF

ZINC22408490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 4.35 7.46 -44.41 0 4 -1 61 357.842 5
Mid Mid (pH 6-8) 4.35 7.4 -13.37 1 4 0 59 358.85 5

Activity (Go SEA)

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