UCSF

ZINC69572595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 23 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) 3.73 7.69 -8.74 1 4 0 45 329.469 5
Mid Mid (pH 6-8) 3.73 10.41 -46.8 2 4 1 46 330.477 5

Activity (Go SEA)

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