UCSF

ZINC03995903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 22 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) 1.63 5.31 -41.96 4 5 1 77 304.414 6
Hi High (pH 8-9.5) 1.63 5 -13.46 3 5 0 75 303.406 6

Activity (Go SEA)

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