UCSF

ZINC37813851

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) -1.03 -1.09 -39.31 5 8 1 127 276.313 10
Hi High (pH 8-9.5) -1.03 -1.41 -13.66 4 8 0 125 275.305 10

Activity (Go SEA)

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