UCSF

ZINC05736874

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 19 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) 2.33 8.64 -11.66 1 5 0 72 273.317 3
Hi High (pH 8-9.5) 2.33 8.44 -39.55 0 5 -1 70 272.309 3

Activity (Go SEA)

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

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