UCSF

ZINC52164628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 Yes

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) 2.90 7.92 -35.87 1 3 1 17 279.379 6
Hi High (pH 8-9.5) 2.90 5.65 -6.58 0 3 0 16 278.371 6

Activity (Go SEA)

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