UCSF

ZINC43781178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 32 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) 2.77 6.69 -9.7 1 6 0 54 437.584 7
Lo Low (pH 4.5-6) 2.77 8.64 -47.54 2 6 1 55 438.592 7
Lo Low (pH 4.5-6) 2.77 10.9 -94.89 3 6 2 56 439.6 7

Activity (Go SEA)

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