UCSF

ZINC62980770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 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) 1.46 6.03 -51.06 2 5 1 58 286.355 2
Hi High (pH 8-9.5) 1.92 1.67 -47.56 0 5 -1 59 284.339 2
Hi High (pH 8-9.5) 1.46 3.64 -9.3 1 5 0 56 285.347 2

Activity (Go SEA)

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

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