UCSF

ZINC71489140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.94 13.67 -11.35 1 4 0 47 411.549 6
Lo Low (pH 4.5-6) 5.94 15 -30.69 2 4 1 48 412.557 6

Activity (Go SEA)

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