UCSF

ZINC37819258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.77 2.76 -87.06 3 7 2 65 299.419 4
Hi High (pH 8-9.5) -1.77 1.4 -44.47 2 7 1 60 298.411 4
Hi High (pH 8-9.5) -1.77 0.37 -47.14 2 7 1 64 298.411 4
Hi High (pH 8-9.5) -1.77 -1 -11.99 1 7 0 59 297.403 4

Activity (Go SEA)

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