UCSF

ZINC36332244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) -0.54 -0.64 -16.59 3 6 0 102 269.326 3
Lo Low (pH 4.5-6) -0.54 -0.3 -51.98 4 6 1 103 270.334 3

Activity (Go SEA)

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