UCSF

ZINC19231824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 20 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) 6.27 8.8 -30.5 2 2 1 26 289.83 2
Hi High (pH 8-9.5) 6.27 8.4 -6.41 1 2 0 25 288.822 2

Activity (Go SEA)

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