UCSF

ZINC43700125

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -2.13 3.68 -45.49 3 4 0 71 172.228 5
Mid Mid (pH 6-8) -2.13 1.97 -32.58 3 4 0 71 172.228 5
Mid Mid (pH 6-8) -2.13 4.03 -81.08 4 4 1 72 173.236 5

Activity (Go SEA)

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