UCSF

ZINC37989783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 0.37 2.42 -39.82 2 5 1 55 225.316 4
Lo Low (pH 4.5-6) 0.37 3.61 -111.56 3 5 2 60 226.324 4
Lo Low (pH 4.5-6) 0.37 1.37 -45.21 2 5 1 59 225.316 4

Activity (Go SEA)

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