UCSF

ZINC68955262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 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) -0.65 -1.09 -42.21 3 4 1 49 201.29 2
Hi High (pH 8-9.5) -0.65 -1.56 -4.23 2 4 0 48 200.282 2
Lo Low (pH 4.5-6) -0.65 1.13 -103.27 4 4 2 51 202.298 2

Activity (Go SEA)

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

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