UCSF

ZINC06647612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 23 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) 3.75 4.38 -11.98 1 5 0 70 352.843 4
Hi High (pH 8-9.5) 3.75 4 -40.91 0 5 -1 73 351.835 4
Hi High (pH 8-9.5) 3.75 5.17 -51.33 0 5 -1 73 351.835 4
Lo Low (pH 4.5-6) 3.75 3.61 -43.5 2 5 1 72 353.851 4
Lo Low (pH 4.5-6) 3.75 4.8 -40.81 2 5 1 72 353.851 4

Activity (Go SEA)

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