UCSF

ZINC18191957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 Yes

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) 2.89 8.74 -52.45 1 5 -1 82 325.388 3
Lo Low (pH 4.5-6) 2.89 8.13 -73.56 2 5 0 83 326.396 3

Activity (Go SEA)

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