UCSF

ZINC43398544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 No

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) 2.10 7.51 -21.5 2 4 0 57 268.345 2
Lo Low (pH 4.5-6) 2.10 8 -31.07 3 4 1 58 269.353 2

Activity (Go SEA)

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