UCSF

ZINC55618767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 25 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) 3.70 9.89 -9.59 1 5 0 54 339.439 5
Lo Low (pH 4.5-6) 3.70 10.35 -36.11 2 5 1 56 340.447 5

Activity (Go SEA)

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