UCSF

ZINC43424274

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) -0.52 -1.5 -51.33 4 5 1 69 228.316 4
Lo Low (pH 4.5-6) -0.52 0.49 -99.56 5 5 2 70 229.324 4

Activity (Go SEA)

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