UCSF

ZINC12504293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 Yes

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) -1.12 5.66 -150.33 5 11 -2 193 441.444 9
Lo Low (pH 4.5-6) -1.12 4.54 -93.57 6 11 -1 190 442.452 9

Activity (Go SEA)

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