UCSF

ZINC43612017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 21 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) 2.09 5.7 -9.77 0 5 0 57 307.781 5
Mid Mid (pH 6-8) 2.09 7.37 -39.46 1 5 1 58 308.789 5
Lo Low (pH 4.5-6) 2.09 7.98 -50.68 1 5 1 58 308.789 5

Activity (Go SEA)

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