UCSF

ZINC36996319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.50 8.37 -39.78 2 5 1 62 276.36 4
Lo Low (pH 4.5-6) 2.50 7.39 -55.38 2 5 1 66 276.36 4
Lo Low (pH 4.5-6) 2.50 9.63 -133.7 3 5 2 67 277.368 4

Activity (Go SEA)

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