UCSF

ZINC37827681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 3.27 10.39 -58.92 0 4 -1 60 328.841 5
Lo Low (pH 4.5-6) 3.27 8.39 -12.81 1 4 0 58 329.849 5

Activity (Go SEA)

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