UCSF

ZINC35288703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 22 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) 0.39 5.73 -15.13 2 5 0 75 293.326 3
Lo Low (pH 4.5-6) 0.39 6.2 -37.92 3 5 1 76 294.334 3

Activity (Go SEA)

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