UCSF

ZINC39911987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 7.22 12.79 -10.8 2 6 0 78 481.596 8
Hi High (pH 8-9.5) 6.99 12.97 -52.82 0 6 -1 77 480.588 8
Hi High (pH 8-9.5) 6.99 13.41 -55.25 0 6 -1 77 480.588 8
Hi High (pH 8-9.5) 7.22 13.75 -40.33 1 6 -1 81 480.588 8

Activity (Go SEA)

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