UCSF

ZINC44449194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 20 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) 2.56 7.13 -15.67 1 4 0 59 286.356 3
Hi High (pH 8-9.5) 2.74 5.67 -45.45 0 4 -1 65 285.348 3

Activity (Go SEA)

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