UCSF

ZINC69975817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 0.16 -0.28 -40 0 5 -1 71 181.171 1
Lo Low (pH 4.5-6) -0.29 1.31 -9.46 1 5 0 68 182.179 1

Activity (Go SEA)

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

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