UCSF

ZINC71789531

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 10 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) -0.76 -1.71 -8.61 1 5 0 72 163.154 0
Mid Mid (pH 6-8) -0.58 -3.33 -37.12 0 5 -1 79 162.146 0

Activity (Go SEA)

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

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