UCSF

ZINC18198781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 3.88 13.23 -18.03 1 6 0 73 468.38 4
Lo Low (pH 4.5-6) 3.88 13.5 -44.92 2 6 1 74 469.388 4

Activity (Go SEA)

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