UCSF

ZINC21816139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.32 10.29 -133.36 3 2 2 21 298.421 5
Mid Mid (pH 6-8) 4.32 8.26 -46.65 2 2 1 20 297.413 5
Mid Mid (pH 6-8) 4.32 8.99 -37.85 2 2 1 16 297.413 5

Activity (Go SEA)

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