UCSF

ZINC62973875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.29 5.83 -90.56 3 4 2 34 291.439 5
Hi High (pH 8-9.5) 1.29 4.39 -38.45 2 4 1 29 290.431 5
Hi High (pH 8-9.5) 1.29 3.39 -39.96 2 4 1 32 290.431 5

Activity (Go SEA)

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