UCSF

ZINC39228625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 35 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) 4.89 11.63 -45.89 3 7 1 92 467.549 6
Mid Mid (pH 6-8) 4.89 10.09 -17.82 2 7 0 90 466.541 6

Activity (Go SEA)

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