UCSF

ZINC43915765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.38 4.47 -28.1 2 3 1 29 229.388 6
Hi High (pH 8-9.5) 2.38 3.16 -1.3 1 3 0 24 228.38 6
Hi High (pH 8-9.5) 2.38 5.55 -28.43 2 3 1 26 229.388 6

Activity (Go SEA)

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