UCSF

ZINC44658666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 10 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) -0.36 -0.41 -36.75 3 3 1 46 148.226 7
Hi High (pH 8-9.5) -0.36 -1.82 -4.75 2 3 0 41 147.218 7

Activity (Go SEA)

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