UCSF

ZINC49067118

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 27 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) 3.77 12.51 -78.05 0 5 -1 75 355.373 4
Lo Low (pH 4.5-6) 3.77 11.67 -35.63 1 5 0 78 356.381 4

Activity (Go SEA)

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

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