UCSF

ZINC21995882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) 2.41 6.83 -47.95 0 2 -1 40 179.239 1

Activity (Go SEA)

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