UCSF

ZINC69237310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.31 8.73 -62.38 0 4 -1 60 252.334 5
Lo Low (pH 4.5-6) 2.31 7.05 -10.69 1 4 0 58 253.342 5

Activity (Go SEA)

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

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