UCSF

ZINC57305891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 17 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) 2.00 7.45 -39.12 2 3 1 34 231.319 5
Hi High (pH 8-9.5) 1.82 6.63 -32.33 1 3 0 40 230.311 5

Activity (Go SEA)

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