UCSF

ZINC30758481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 28 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) 3.94 8.4 -44.56 0 5 -1 69 431.843 5
Mid Mid (pH 6-8) 3.94 8.34 -14.34 1 5 0 66 432.851 5

Activity (Go SEA)

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