UCSF

ZINC26227430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 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) 3.79 9.66 -39.37 2 2 1 40 271.771 4
Mid Mid (pH 6-8) 3.79 8.4 -7.23 1 2 0 36 270.763 4

Activity (Go SEA)

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