UCSF

ZINC48939276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.76 5.8 -10.9 1 5 0 58 324.456 3
Hi High (pH 8-9.5) 2.83 4.26 -47.33 0 5 -1 64 323.448 3
Lo Low (pH 4.5-6) 2.76 6.27 -33.31 2 5 1 59 325.464 3

Activity (Go SEA)

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

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