UCSF

ZINC43699927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -1.71 5.16 -80.05 4 5 1 75 264.349 5
Hi High (pH 8-9.5) -1.71 2.16 -42.27 2 5 -1 73 262.333 5
Mid Mid (pH 6-8) -1.71 2.89 -35.06 3 5 0 74 263.341 5

Activity (Go SEA)

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