UCSF

ZINC71758595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -4.67 -5.22 -64.73 5 9 0 147 287.272 5
Hi High (pH 8-9.5) -4.67 -5.46 -49.63 4 9 -1 145 286.264 5

Activity (Go SEA)

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

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