UCSF

ZINC54628324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 20 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) 3.59 10.98 -101.1 3 2 2 21 274.452 6
Mid Mid (pH 6-8) 3.59 11.08 -31.29 2 2 1 16 273.444 6
Mid Mid (pH 6-8) 3.59 8.77 -33.99 2 2 1 20 273.444 6

Activity (Go SEA)

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