UCSF

ZINC69231693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) -0.32 9.23 -65.31 3 4 1 61 275.372 6
Hi High (pH 8-9.5) -0.32 8.88 -33.18 2 4 0 57 274.364 6
Mid Mid (pH 6-8) -0.32 6.98 -35.76 2 4 0 60 274.364 6

Activity (Go SEA)

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

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