UCSF

ZINC38265831

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 2.55 0.17 -10.74 4 5 0 86 308.337 4
Lo Low (pH 4.5-6) 2.55 0.64 -42.02 5 5 1 87 309.345 4

Activity (Go SEA)

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