UCSF

ZINC37801749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.55 1.57 -41.66 3 5 1 70 262.333 4
Lo Low (pH 4.5-6) -0.55 2.03 -87.41 4 5 2 71 263.341 4

Activity (Go SEA)

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