UCSF

ZINC33138009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 31 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) 4.38 10.76 -20.5 1 6 0 70 443.613 4
Hi High (pH 8-9.5) 5.09 10.77 -58.96 1 6 -1 77 442.605 4

Activity (Go SEA)

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