UCSF

ZINC52254324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 No

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) 2.54 4.83 -48.89 1 4 -1 70 273.255 5
Mid Mid (pH 6-8) 2.54 4.21 -6.89 2 4 0 67 274.263 5

Activity (Go SEA)

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