UCSF

ZINC51480922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 3.35 8.44 -109.13 3 4 2 47 290.386 7
Hi High (pH 8-9.5) 3.35 7.61 -8.63 1 4 0 41 288.37 7
Lo Low (pH 4.5-6) 3.35 9.09 -113.45 3 4 2 47 290.386 7

Activity (Go SEA)

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

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