UCSF

ZINC53433191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 24 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) 1.67 4.31 -7.85 1 6 0 62 353.85 6
Lo Low (pH 4.5-6) 1.67 6.51 -43.8 2 6 1 63 354.858 6

Activity (Go SEA)

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

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