UCSF

ZINC48614728

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 3.28 9.55 -36.54 1 3 1 25 301.813 7
Hi High (pH 8-9.5) 3.28 7.27 -8.88 0 3 0 24 300.805 7

Activity (Go SEA)

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