UCSF

ZINC43966428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 14 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) 1.34 3.38 -30.58 2 3 1 29 201.334 5
Hi High (pH 8-9.5) 1.34 1.66 -2.49 1 3 0 24 200.326 5
Mid Mid (pH 6-8) 1.34 4.23 -29.51 2 3 1 26 201.334 5

Activity (Go SEA)

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