UCSF

ZINC49266246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 1.53 2.73 -14.37 2 6 0 65 282.388 5
Mid Mid (pH 6-8) 1.53 4.88 -45.82 3 6 1 66 283.396 5

Activity (Go SEA)

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