UCSF

ZINC34920777

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.50 11.09 -49.57 0 9 -1 132 480.865 5
Lo Low (pH 4.5-6) 4.50 10.33 -14.54 1 9 0 129 481.873 5

Activity (Go SEA)

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