UCSF

ZINC60023415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 2.44 1.89 -52.52 1 9 -1 139 392.392 5
Lo Low (pH 4.5-6) 2.44 2.4 -69.1 2 9 0 141 393.4 5

Activity (Go SEA)

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

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