UCSF

ZINC43426881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.12 2.31 -39.67 3 5 1 74 297.4 3
Hi High (pH 8-9.5) 1.12 2.02 -9.57 2 5 0 73 296.392 3

Activity (Go SEA)

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