UCSF

ZINC04169979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 Yes

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) 2.08 5.63 -20.76 1 5 0 76 329.377 4
Hi High (pH 8-9.5) 3.38 4.37 -44.18 0 5 -1 79 328.369 4

Activity (Go SEA)

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

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