UCSF

ZINC03636681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 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) 4.77 9.35 -45.39 1 3 -1 60 269.405 11
Lo Low (pH 4.5-6) 4.77 7.38 -6.9 2 3 0 58 270.413 11

Activity (Go SEA)

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