UCSF

ZINC43411757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.94 4.66 -69.85 2 7 0 96 317.411 7
Hi High (pH 8-9.5) 0.94 2.32 -51.37 1 7 -1 94 316.403 7

Activity (Go SEA)

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