UCSF

ZINC37850392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.31 -1.33 -39.5 4 5 1 76 236.332 12
Hi High (pH 8-9.5) -0.31 -2.76 -8.69 3 5 0 71 235.324 12

Activity (Go SEA)

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