UCSF

ZINC37066138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.03 10.85 -13.41 0 6 0 77 302.721 2
Lo Low (pH 4.5-6) 4.03 11.32 -30.86 1 6 1 78 303.729 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.