UCSF

ZINC19411728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) -0.54 3.99 -59.85 2 6 -1 90 271.337 5
Lo Low (pH 4.5-6) -0.54 1.75 -12.62 3 6 0 88 272.345 5

Activity (Go SEA)

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