UCSF

ZINC57857360

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 21 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) 1.88 5.09 -9.26 1 5 0 65 295.337 4
Mid Mid (pH 6-8) 1.88 7.21 -41.47 2 5 1 66 296.345 4
Lo Low (pH 4.5-6) 1.88 7.33 -87.28 3 5 2 67 297.353 4

Activity (Go SEA)

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