UCSF

ZINC13130507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 1.66 5.66 -61.83 1 8 -1 126 367.337 6
Lo Low (pH 4.5-6) 1.66 4.89 -16.86 2 8 0 124 368.345 6

Activity (Go SEA)

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