UCSF

ZINC39229998

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 2.47 9.13 -12.67 1 7 0 77 418.497 7
Lo Low (pH 4.5-6) 2.47 9.61 -35.46 2 7 1 78 419.505 7

Activity (Go SEA)

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