UCSF

ZINC42463594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -0.15 0.45 -36.79 3 3 1 40 173.28 4
Mid Mid (pH 6-8) -0.15 2.07 -28.39 3 3 1 40 173.28 4

Activity (Go SEA)

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