UCSF

ZINC16804274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 28 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) 2.02 7.35 -15.83 4 7 0 107 395.488 8
Mid Mid (pH 6-8) 2.02 7.77 -39.02 5 7 1 108 396.496 8

Activity (Go SEA)

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