UCSF

ZINC26895165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 2.70 6.63 -15.1 1 6 0 86 355.371 4
Hi High (pH 8-9.5) 2.70 7.43 -56.68 0 6 -1 88 354.363 4

Activity (Go SEA)

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