UCSF

ZINC36278974

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) -0.20 2.37 -48.27 3 8 1 96 269.329 5
Lo Low (pH 4.5-6) -0.20 4.62 -133.94 4 8 2 97 270.337 5
Lo Low (pH 4.5-6) -0.20 3.29 -48.54 3 8 1 92 269.329 5

Activity (Go SEA)

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