UCSF

ZINC42469181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.79 5.89 -30.96 1 4 0 54 201.266 5
Hi High (pH 8-9.5) -0.79 3.7 -48.51 0 4 -1 53 200.258 5

Activity (Go SEA)

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