UCSF

ZINC35045600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.83 7.14 -37.83 2 5 1 56 295.403 6
Mid Mid (pH 6-8) 1.83 5.91 -45.83 2 5 1 59 295.403 6
Lo Low (pH 4.5-6) 1.83 8.33 -113.59 3 5 2 60 296.411 6

Activity (Go SEA)

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