UCSF

ZINC28643051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 26 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) 2.07 7.46 -13.57 1 6 0 73 344.374 5
Lo Low (pH 4.5-6) 2.07 7.9 -49.14 2 6 1 74 345.382 5

Activity (Go SEA)

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