UCSF

ZINC43970958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.33 5.42 -42.09 2 4 1 38 295.447 12
Hi High (pH 8-9.5) 2.33 4.64 -3.57 1 4 0 34 294.439 12
Mid Mid (pH 6-8) 2.33 7.06 -35.31 2 4 1 35 295.447 12

Activity (Go SEA)

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