UCSF

ZINC43476848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.72 -1.02 -47.06 5 3 1 68 202.661 2
Hi High (pH 8-9.5) 0.72 -1.24 -5.2 4 3 0 66 201.653 2

Activity (Go SEA)

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