UCSF

ZINC39230374

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) 4.65 13.43 -9.46 1 4 0 45 375.516 6
Lo Low (pH 4.5-6) 4.65 13.8 -34.76 2 4 1 46 376.524 6

Activity (Go SEA)

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