UCSF

ZINC37921250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 19 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) -0.12 3.08 -19.65 2 9 0 134 283.269 5
Hi High (pH 8-9.5) -0.12 2.88 -59.86 1 9 -1 136 282.261 5

Activity (Go SEA)

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

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