UCSF

ZINC69898464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.25 7.08 -56.02 2 5 1 60 295.794 4
Hi High (pH 8-9.5) 2.25 5.9 -9.01 1 5 0 56 294.786 4

Activity (Go SEA)

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

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