UCSF

ZINC20238466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 4.29 10.42 -47.09 0 9 -1 134 444.423 5
Lo Low (pH 4.5-6) 3.83 12.2 -13.86 1 9 0 131 445.431 5

Activity (Go SEA)

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

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