UCSF

ZINC50047919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 0.75 6.92 -72.76 2 7 0 100 300.355 9
Hi High (pH 8-9.5) 0.75 4.75 -51.22 1 7 -1 99 299.347 9

Activity (Go SEA)

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