UCSF

ZINC58289174

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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) 3.48 7.52 -38.1 2 6 1 61 395.426 9
Hi High (pH 8-9.5) 3.67 5.71 -30.21 1 6 0 68 394.418 9
Hi High (pH 8-9.5) 3.67 3.45 -49.69 0 6 -1 66 393.41 9

Activity (Go SEA)

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