UCSF

ZINC24812255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 34 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) 3.36 9.61 -24.45 2 8 0 102 476.558 6
Hi High (pH 8-9.5) 3.36 10.02 -68.87 1 8 -1 104 475.55 6

Activity (Go SEA)

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