UCSF

ZINC36872465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -1.00 2.36 -45.66 4 4 1 69 203.269 3
Hi High (pH 8-9.5) -1.00 2.06 -7.58 3 4 0 68 202.261 3
Lo Low (pH 4.5-6) -1.00 3 -117.46 5 4 2 70 204.277 3

Activity (Go SEA)

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

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