UCSF

ZINC49543174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 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) 2.51 3.75 -68.38 2 9 -1 126 437.428 6
Ref Reference (pH 7) 2.33 6.39 -60.58 2 9 -1 122 437.428 6
Lo Low (pH 4.5-6) 2.51 4.83 -50.68 3 9 0 127 438.436 6

Activity (Go SEA)

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

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