UCSF

ZINC39912434

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.61 10.64 -16.53 2 6 0 78 473.96 5
Hi High (pH 8-9.5) 5.38 11.21 -46.98 0 6 -1 77 472.952 5
Hi High (pH 8-9.5) 5.38 10.75 -55.89 0 6 -1 77 472.952 5
Hi High (pH 8-9.5) 5.61 11.59 -40.32 1 6 -1 81 472.952 5

Activity (Go SEA)

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