UCSF

ZINC37824521

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) -2.59 -1.52 -54.77 4 8 1 113 298.367 8
Hi High (pH 8-9.5) -2.59 -1.92 -16.17 3 8 0 112 297.359 8
Mid Mid (pH 6-8) -2.59 0.75 -105.07 5 8 2 115 299.375 8

Activity (Go SEA)

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