UCSF

ZINC43435888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.41 5.22 -11.85 1 5 0 64 223.276 5
Lo Low (pH 4.5-6) 1.41 5.37 -29.58 2 5 1 65 224.284 5

Activity (Go SEA)

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