UCSF

ZINC25493585

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.81 6.61 -4.56 1 3 0 34 271.36 5
Lo Low (pH 4.5-6) 2.81 7.76 -42.31 2 3 1 39 272.368 5

Activity (Go SEA)

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