UCSF

ZINC71537702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 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) 2.88 5.24 -37.5 3 2 1 37 234.363 2
Hi High (pH 8-9.5) 2.88 3.83 -3.49 2 2 0 32 233.355 2

Activity (Go SEA)

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