UCSF

ZINC54705720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 27 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) 2.21 5.51 -18.82 2 7 0 88 387.823 3
Hi High (pH 8-9.5) 2.40 2.86 -48.86 1 7 -1 94 386.815 3

Activity (Go SEA)

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

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