UCSF

ZINC43412085

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) 1.61 4.82 -47.06 2 5 1 74 296.416 6
Hi High (pH 8-9.5) 1.61 2.44 -13.59 1 5 0 73 295.408 6

Activity (Go SEA)

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