UCSF

ZINC22560451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 21 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) 3.40 7.41 -9.77 1 4 0 55 315.785 3
Hi High (pH 8-9.5) 3.47 6.24 -45.47 0 4 -1 61 314.777 3

Activity (Go SEA)

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