UCSF

ZINC39230076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 3.03 9.29 -41.01 3 6 1 71 375.452 5
Hi High (pH 8-9.5) 3.03 7.99 -12.85 2 6 0 66 374.444 5

Activity (Go SEA)

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