UCSF

ZINC21993217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 3.41 8.27 -10.54 0 3 0 27 238.29 2
Mid Mid (pH 6-8) 3.41 8.71 -29.56 1 3 1 28 239.298 2

Activity (Go SEA)

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