UCSF

ZINC43520592

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 17 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) 3.61 8.42 -34.56 1 2 1 17 273.853 4
Hi High (pH 8-9.5) 3.61 6.19 -4.25 0 2 0 16 272.845 4

Activity (Go SEA)

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