UCSF

ZINC31777202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 19 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) 1.03 4.39 -16.47 1 7 0 89 259.269 2
Hi High (pH 8-9.5) 1.49 3.43 -43.81 0 7 -1 92 258.261 2
Lo Low (pH 4.5-6) -3.66 2.85 -54.01 1 7 1 89 260.277 2

Activity (Go SEA)

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

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