UCSF

ZINC35268725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.79 8.98 -28.66 1 7 0 92 497.429 5
Hi High (pH 8-9.5) 4.97 7.6 -63.63 0 7 -1 99 496.421 5

Activity (Go SEA)

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