UCSF

ZINC39304566

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 2.46 9.49 -12.77 0 6 0 53 393.487 5
Lo Low (pH 4.5-6) 2.46 11.71 -47.57 1 6 1 54 394.495 5

Activity (Go SEA)

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