UCSF

ZINC72284510

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 13 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.26 3.46 -13.75 2 4 0 65 198.247 2
Lo Low (pH 4.5-6) -0.26 3.7 -34.64 3 4 1 66 199.255 2

Activity (Go SEA)

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

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