UCSF

ZINC67743407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 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) 0.30 3.76 -16.02 2 7 0 92 329.356 4
Lo Low (pH 4.5-6) 0.30 6.04 -50.08 3 7 1 93 330.364 4

Activity (Go SEA)

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

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