UCSF

ZINC21855911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 4.48 12.87 -39.54 2 6 1 59 451.635 5
Hi High (pH 8-9.5) 4.48 10.65 -8.72 1 6 0 58 450.627 5

Activity (Go SEA)

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