UCSF

ZINC52883691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 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) 3.26 7.75 -30.31 3 2 1 30 247.406 3
Hi High (pH 8-9.5) 3.26 5.54 -1.55 2 2 0 29 246.398 3
Lo Low (pH 4.5-6) 3.26 7.97 -115.17 4 2 2 32 248.414 3

Activity (Go SEA)

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

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