UCSF

ZINC33824216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 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) 3.92 9.66 -40.92 2 3 1 28 419.611 5
Mid Mid (pH 6-8) 3.92 7.39 -6.08 1 3 0 27 418.603 5
Mid Mid (pH 6-8) 3.92 8.9 -38 2 3 1 28 419.611 5

Activity (Go SEA)

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