UCSF

ZINC43704291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) -0.70 2.77 -52.23 1 6 0 66 244.291 4
Mid Mid (pH 6-8) -0.70 0.48 -47.07 0 6 -1 65 243.283 4
Mid Mid (pH 6-8) -0.70 2.76 -67.75 1 6 0 66 244.291 4
Lo Low (pH 4.5-6) -0.70 5.02 -116.39 2 6 1 67 245.299 4

Activity (Go SEA)

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