UCSF

ZINC12554614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 2.39 7.09 -13.89 1 4 0 55 294.354 4
Lo Low (pH 4.5-6) 2.39 7.37 -46.72 2 4 1 56 295.362 4

Activity (Go SEA)

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