UCSF

ZINC43388899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 4.51 7.37 -8.32 1 3 0 46 280.73 2
Hi High (pH 8-9.5) 4.97 5.72 -46.77 0 3 -1 49 279.722 2

Activity (Go SEA)

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