UCSF

ZINC49510594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 16 No

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) 3.35 7.34 -27.83 2 2 1 26 255.794 3
Hi High (pH 8-9.5) 3.35 7.32 -25.98 2 2 1 26 255.794 2
Hi High (pH 8-9.5) 3.35 6.69 -5.57 1 2 0 24 254.786 2

Activity (Go SEA)

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

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