UCSF

ZINC42445265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.63 5.58 -35.75 4 4 1 63 288.774 6
Hi High (pH 8-9.5) 2.63 3.37 -6.43 3 4 0 62 287.766 6

Activity (Go SEA)

Rings

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