UCSF

ZINC05686761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 2.96 5.52 -23.14 1 5 0 72 283.283 2
Hi High (pH 8-9.5) 2.96 6.32 -49.56 0 5 -1 75 282.275 2

Activity (Go SEA)

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

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