UCSF

ZINC19864482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) -1.61 1.66 -61.89 3 6 1 77 230.288 5
Hi High (pH 8-9.5) -1.61 0.08 -21.75 2 6 0 73 229.28 5

Activity (Go SEA)

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