UCSF

ZINC66825281

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.11 6.56 -11.03 2 5 0 71 315.398 5
Lo Low (pH 4.5-6) 3.11 6.99 -30.19 3 5 1 72 316.406 5

Activity (Go SEA)

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

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