UCSF

ZINC37818171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.44 2.25 -44.12 3 6 1 75 258.342 9
Hi High (pH 8-9.5) -0.44 0.89 -13.55 2 6 0 71 257.334 9

Activity (Go SEA)

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