UCSF

ZINC43477547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.67 5.61 -46.02 3 2 1 37 240.754 4
Hi High (pH 8-9.5) 3.67 6.38 -60.16 2 2 0 40 239.746 4

Activity (Go SEA)

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