UCSF

ZINC33828273

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) 2.86 4.37 -9.52 2 4 0 47 416.612 5
Mid Mid (pH 6-8) 2.86 5.85 -39.44 3 4 1 48 417.62 5
Mid Mid (pH 6-8) 2.86 6.65 -43.62 3 4 1 48 417.62 5

Activity (Go SEA)

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