UCSF

ZINC36138351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 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) 2.97 2.88 -18.5 2 8 0 102 481.372 6
Hi High (pH 8-9.5) 2.97 3.66 -62.46 1 8 -1 105 480.364 6

Activity (Go SEA)

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