UCSF

ZINC17180131

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 35 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) 2.70 7.07 -62.55 0 9 -1 107 484.525 11
Lo Low (pH 4.5-6) 2.70 6.25 -21.57 1 9 0 104 485.533 11

Activity (Go SEA)

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