UCSF

ZINC28958120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 5.63 10.69 -8.99 1 6 0 74 448.515 2
Hi High (pH 8-9.5) 5.63 11.39 -56.03 0 6 -1 77 447.507 2

Activity (Go SEA)

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