UCSF

ZINC06141920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 20 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) 2.71 6.69 -8.21 1 6 0 77 293.348 6
Hi High (pH 8-9.5) 2.71 6.33 -42.48 0 6 -1 75 292.34 6

Activity (Go SEA)

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