UCSF

ZINC37809687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) -2.36 -6.74 -50.52 6 8 1 145 294.353 6
Hi High (pH 8-9.5) -2.36 -7.08 -25.58 5 8 0 144 293.345 6

Activity (Go SEA)

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