UCSF

ZINC36891092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 3.79 10 -47.25 1 3 1 22 294.85 5
Lo Low (pH 4.5-6) 3.79 10.37 -85.52 2 3 2 24 295.858 5

Activity (Go SEA)

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