UCSF

ZINC37993473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 1.05 5.55 -49 1 5 -1 81 270.692 4
Hi High (pH 8-9.5) 1.05 6.54 -121.94 0 5 -2 83 269.684 4

Activity (Go SEA)

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