UCSF

ZINC27020886

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 31 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) 2.82 7.54 -61.39 0 7 -1 88 442.875 7
Lo Low (pH 4.5-6) 2.82 6.73 -19.32 1 7 0 85 443.883 7

Activity (Go SEA)

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