UCSF

ZINC36878148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) -1.99 -0.21 -65.78 4 6 1 104 270.334 5
Hi High (pH 8-9.5) -1.99 -0.46 -20.53 3 6 0 102 269.326 5
Mid Mid (pH 6-8) -1.99 0.11 -44.76 4 6 1 103 270.334 5
Mid Mid (pH 6-8) -1.99 0.43 -138.42 5 6 2 105 271.342 5

Activity (Go SEA)

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

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