UCSF

ZINC66054807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 22 No

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) 3.58 8.53 -11.59 2 6 0 98 292.298 3
Lo Low (pH 4.5-6) 3.58 8.69 -40.53 3 6 1 99 293.306 3
Lo Low (pH 4.5-6) 3.58 8.61 -37.29 3 6 1 99 293.306 3

Activity (Go SEA)

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

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