UCSF

ZINC04455853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 29 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) 4.35 11.77 -12.58 0 6 0 74 405.479 5
Lo Low (pH 4.5-6) 4.35 12.06 -42.58 1 6 1 75 406.487 5

Activity (Go SEA)

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