UCSF

ZINC41681051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 1.43 2.98 -13.05 3 4 0 60 239.344 6
Lo Low (pH 4.5-6) 1.43 3.45 -47.57 4 4 1 61 240.352 6

Activity (Go SEA)

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