UCSF

ZINC43700086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.80 4.01 -44.81 3 4 0 71 186.255 5
Mid Mid (pH 6-8) -1.80 2.25 -32.58 3 4 0 71 186.255 5
Mid Mid (pH 6-8) -1.80 4.32 -79.43 4 4 1 72 187.263 5

Activity (Go SEA)

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