UCSF

ZINC31554723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 20 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) 2.99 5.69 -3.02 1 3 0 33 275.392 3
Mid Mid (pH 6-8) 2.99 6.14 -30.89 2 3 1 34 276.4 3

Activity (Go SEA)

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