UCSF

ZINC48606431

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 2.59 5.69 -9.79 1 4 0 49 291.42 3
Lo Low (pH 4.5-6) 2.59 7.9 -38.69 2 4 1 50 292.428 3

Activity (Go SEA)

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