UCSF

ZINC18198351

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) 3.49 6.5 -14.28 3 5 0 81 352.444 3
Lo Low (pH 4.5-6) 3.49 6.7 -38.69 4 5 1 82 353.452 3

Activity (Go SEA)

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