UCSF

ZINC05545817

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 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) 4.07 9.82 -9.27 1 4 0 47 321.424 6
Lo Low (pH 4.5-6) 4.07 10.51 -31.41 2 4 1 48 322.432 6

Activity (Go SEA)

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