UCSF

ZINC07064551

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 24 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) 3.02 10.56 -48.59 2 4 1 43 351.829 7
Hi High (pH 8-9.5) 3.02 8.36 -11.32 1 4 0 42 350.821 7

Activity (Go SEA)

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