UCSF

ZINC47550451

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 28 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) 3.69 6.96 -63.16 3 7 1 110 392.568 10
Hi High (pH 8-9.5) 3.69 6.28 -28.84 2 7 0 109 391.56 10

Activity (Go SEA)

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