UCSF

ZINC43606515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 13 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) 0.44 1.93 -40.66 3 3 1 42 200.331 6
Mid Mid (pH 6-8) 0.44 3.29 -109.15 4 3 2 46 201.339 6

Activity (Go SEA)

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