UCSF

ZINC39917893

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 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) 4.66 11.25 -10.76 0 2 0 18 284.79 2
Mid Mid (pH 6-8) 4.66 11.69 -31.79 1 2 1 19 285.798 2

Activity (Go SEA)

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