UCSF

ZINC36128193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 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) 1.77 7.76 -21.41 1 8 0 96 451.454 5
Mid Mid (pH 6-8) 1.77 8.79 -27.51 1 8 0 96 451.454 5
Mid Mid (pH 6-8) 1.77 10.21 -67.2 2 8 1 97 452.462 5

Activity (Go SEA)

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

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