UCSF

ZINC39520050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 25 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) 2.49 8.13 -22.23 1 7 0 90 377.495 5
Mid Mid (pH 6-8) 2.56 6.43 -61.76 0 7 -1 96 376.487 5

Activity (Go SEA)

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