UCSF

ZINC62812086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 16 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) -1.46 -3.51 -36.37 4 9 -1 137 221.204 3
Lo Low (pH 4.5-6) -1.46 -3.51 -8.43 5 9 0 138 222.212 3

Activity (Go SEA)

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

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