UCSF

ZINC42274641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 3.61 8.13 -50.09 2 3 1 35 270.352 4
Hi High (pH 8-9.5) 3.61 6.77 -7.03 1 3 0 30 269.344 4

Activity (Go SEA)

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