UCSF

ZINC57914781

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 23 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) 1.64 4.01 -9.55 1 5 0 59 322.359 5
Lo Low (pH 4.5-6) 1.64 6.09 -40.62 2 5 1 61 323.367 5
Lo Low (pH 4.5-6) 1.64 6.3 -38.34 2 5 1 61 323.367 5

Activity (Go SEA)

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