UCSF

ZINC42468476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.20 5.77 -51.06 0 5 -1 70 228.268 6
Lo Low (pH 4.5-6) 0.20 3.79 -10.13 1 5 0 67 229.276 6

Activity (Go SEA)

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