UCSF

ZINC22109702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 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) 3.20 5.82 -37.3 2 2 1 20 304.277 3
Hi High (pH 8-9.5) 3.20 4.66 -1.45 1 2 0 15 303.269 3

Activity (Go SEA)

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