UCSF

ZINC13112010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 4.14 9.14 -41.69 2 5 1 55 332.468 5
Hi High (pH 8-9.5) 4.14 7.88 -11.94 1 5 0 54 331.46 5

Activity (Go SEA)

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