UCSF

ZINC43714347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.22 3.54 -49.57 5 7 1 103 288.331 6
Mid Mid (pH 6-8) 0.22 3.03 -21.64 4 7 0 102 287.323 6

Activity (Go SEA)

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