UCSF

ZINC58569445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 20 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) 5.19 6.21 -20.52 1 4 0 59 276.38 9
Hi High (pH 8-9.5) 5.64 4.32 -52.37 0 4 -1 62 275.372 9

Activity (Go SEA)

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

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