UCSF

ZINC01845780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 13 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) 0.49 -3.71 -97.6 1 7 -2 110 180.123 0
Mid Mid (pH 6-8) 0.03 -2.56 -32.5 2 7 -1 107 181.131 0
Lo Low (pH 4.5-6) -0.43 -1.33 -10.96 3 7 0 104 182.139 0

Activity (Go SEA)

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

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