UCSF

ZINC14246122

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 23 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) 0.06 9.33 -117.92 1 6 -2 109 317.341 7
Lo Low (pH 4.5-6) 0.24 7.67 -66.22 2 6 -1 114 318.349 7
Lo Low (pH 4.5-6) 0.06 7.04 -59.98 2 6 -1 107 318.349 7

Activity (Go SEA)

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