UCSF

ZINC06926382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 0.08 -2.22 -48.82 3 8 -1 119 323.716 5
Ref Reference (pH 7) 0.08 -2.2 -47.67 3 8 -1 119 323.716 5
Lo Low (pH 4.5-6) -0.38 0.22 -12.54 4 8 0 116 324.724 5

Activity (Go SEA)

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