UCSF

ZINC39912582

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.91 10.58 -11.55 2 7 0 88 497.595 8
Hi High (pH 8-9.5) 5.68 11.58 -56.29 0 7 -1 87 496.587 8
Hi High (pH 8-9.5) 5.68 11.61 -55.29 0 7 -1 87 496.587 8
Hi High (pH 8-9.5) 5.91 11.46 -45.98 1 7 -1 91 496.587 8

Activity (Go SEA)

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