UCSF

ZINC05700989

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 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) 2.18 6.94 -35.34 2 5 1 69 290.339 5
Hi High (pH 8-9.5) 2.18 6.25 -6.82 1 5 0 65 289.331 5

Activity (Go SEA)

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