UCSF

ZINC36333679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 11 No

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) -0.88 -2.69 -35.77 0 5 -1 75 151.101 1
Lo Low (pH 4.5-6) -1.34 0 -7.61 1 5 0 72 152.109 1

Activity (Go SEA)

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

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