UCSF

ZINC43704057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) -0.43 2.37 -57.34 0 8 -1 100 295.3 3
Mid Mid (pH 6-8) -0.43 4.68 -60.33 1 8 0 101 296.308 3

Activity (Go SEA)

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