UCSF

ZINC35003910

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 1.77 6.54 -62.4 0 10 -1 116 498.508 10
Lo Low (pH 4.5-6) 1.77 5.79 -20.64 1 10 0 113 499.516 10

Activity (Go SEA)

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