UCSF

ZINC67473328

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 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) -1.05 4.17 -62.24 4 7 1 95 306.39 3
Lo Low (pH 4.5-6) -1.05 4.64 -105.82 5 7 2 96 307.398 3

Activity (Go SEA)

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

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