UCSF

ZINC60564508

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.34 5.47 -9.42 0 6 0 57 345.49 7
Lo Low (pH 4.5-6) 2.34 7.84 -42.55 1 6 1 58 346.498 7

Activity (Go SEA)

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

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