UCSF

ZINC39550475

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.91 7.71 -10.41 1 3 0 45 362.432 3
Lo Low (pH 4.5-6) 5.91 8.67 -27.51 2 3 1 47 363.44 3
Lo Low (pH 4.5-6) 5.91 8.67 -24.29 2 3 1 47 363.44 3

Activity (Go SEA)

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