UCSF

ZINC33670607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 23 No

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) -2.49 -3.51 -157.83 3 12 -2 186 346.192 4
Mid Mid (pH 6-8) -2.49 -4.71 -69.02 4 12 -1 183 347.2 4

Activity (Go SEA)

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