UCSF

ZINC21043526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.88 11.58 -118.65 3 2 2 21 310.913 7
Mid Mid (pH 6-8) 3.88 10.63 -33.05 2 2 1 16 309.905 7

Activity (Go SEA)

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