UCSF

ZINC13989627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.15 7.98 -8.75 0 3 0 29 307.372 6
Lo Low (pH 4.5-6) 2.15 9.63 -115.17 2 3 2 31 309.388 6
Lo Low (pH 4.5-6) 2.15 9.63 -113.5 2 3 2 31 309.388 6
Lo Low (pH 4.5-6) 2.15 9.91 -196.46 3 3 3 33 310.396 6

Activity (Go SEA)

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