UCSF

ZINC35237284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) -0.67 2.46 -12.83 0 5 0 57 225.292 4
Lo Low (pH 4.5-6) -0.67 4.56 -43.65 1 5 1 58 226.3 4

Activity (Go SEA)

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