UCSF

ZINC20555423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 15 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) 2.26 6.56 -39.41 2 3 1 29 228.385 5
Mid Mid (pH 6-8) 2.26 6.98 -83.44 3 3 2 31 229.393 5

Activity (Go SEA)

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