UCSF

ZINC51491946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 14 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) 0.82 3.66 -50.45 3 4 1 58 189.242 2
Hi High (pH 8-9.5) 0.82 3.25 -7.36 2 4 0 57 188.234 2

Activity (Go SEA)

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