UCSF

ZINC05316971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.09 7.78 -1.92 2 1 0 26 205.345 4
Lo Low (pH 4.5-6) 4.09 7.62 -38.37 3 1 1 28 206.353 4

Activity (Go SEA)

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