UCSF

ZINC71508443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 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) 2.94 5.69 -40.72 0 4 -1 53 201.253 1
Lo Low (pH 4.5-6) 2.94 5.61 -7.18 1 4 0 54 202.261 1

Activity (Go SEA)

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

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