UCSF

ZINC36949589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 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) -0.44 -1.3 -8.84 4 4 0 79 166.18 2
Ref Reference (pH 7) -0.30 -1.46 -31.41 5 4 1 78 167.188 3
Lo Low (pH 4.5-6) -0.44 -1.47 -31.35 5 4 1 80 167.188 2
Lo Low (pH 4.5-6) -0.44 -1.56 -33.53 5 4 1 80 167.188 2

Activity (Go SEA)

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

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