UCSF

ZINC39553488

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 2.71 7.83 -16.33 1 7 0 72 439.585 5
Lo Low (pH 4.5-6) 2.71 9.58 -50.41 2 7 1 73 440.593 5

Activity (Go SEA)

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