UCSF

ZINC06673040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 26 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) 3.09 9.67 -12.12 0 6 0 83 347.326 4
Lo Low (pH 4.5-6) 3.09 9.96 -41.4 1 6 1 84 348.334 4

Activity (Go SEA)

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