UCSF

ZINC04259623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 33 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) 3.68 4.96 -17.89 4 9 0 129 466.881 7
Hi High (pH 8-9.5) 3.68 5.73 -63.07 3 9 -1 132 465.873 7

Activity (Go SEA)

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