UCSF

ZINC71791625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 26 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) 1.31 10.86 -29.19 3 5 0 94 351.402 5
Hi High (pH 8-9.5) 1.31 10.62 -48.2 2 5 -1 92 350.394 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.