UCSF

ZINC37808824

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) 2.78 6.97 -44.49 3 3 1 48 281.807 5
Hi High (pH 8-9.5) 2.78 6.76 -7.61 2 3 0 46 280.799 5

Activity (Go SEA)

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