UCSF

ZINC41546883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 1.58 5.71 -16.77 2 6 0 80 325.368 4
Lo Low (pH 4.5-6) 1.58 6.06 -42.91 3 6 1 82 326.376 4

Activity (Go SEA)

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