UCSF

ZINC06694242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 No

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) 3.91 16.48 -44.9 2 4 1 34 397.543 9
Mid Mid (pH 6-8) 3.91 15.97 -17.86 1 4 0 33 396.535 9

Activity (Go SEA)

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