UCSF

ZINC61324040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 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) -0.20 0.35 -11.31 2 7 0 93 258.285 4
Lo Low (pH 4.5-6) -0.20 0.56 -32.32 3 7 1 94 259.293 4
Lo Low (pH 4.5-6) -0.20 0.51 -34.72 3 7 1 94 259.293 4

Activity (Go SEA)

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

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