UCSF

ZINC37821849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.37 0.94 -43.11 4 5 1 77 216.305 5
Hi High (pH 8-9.5) -0.37 0.59 -14.33 3 5 0 75 215.297 5

Activity (Go SEA)

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