UCSF

ZINC43179965

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 24 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) 1.67 4.63 -48.1 3 7 1 69 340.492 5
Mid Mid (pH 6-8) 1.67 6.8 -90.51 4 7 2 70 341.5 5

Activity (Go SEA)

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