UCSF

ZINC45366708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 38 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) 8.26 17.94 -33.06 2 8 1 103 515.634 9
Mid Mid (pH 6-8) 8.26 18.61 -20.9 1 8 0 101 514.626 9
Mid Mid (pH 6-8) 8.26 18.87 -41.76 2 8 1 106 515.634 9
Lo Low (pH 4.5-6) 8.26 18.75 -94.25 3 8 2 107 516.642 9

Activity (Go SEA)

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