UCSF

ZINC44221891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 34 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) 5.66 14.92 -187.93 2 9 -3 162 483.626 23
Lo Low (pH 4.5-6) 5.66 12.94 -112.99 3 9 -2 159 484.634 23

Activity (Go SEA)

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