UCSF

ZINC49560626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 1.71 3.06 -12.37 4 8 0 126 326.407 3
Mid Mid (pH 6-8) 0.78 2.52 -46.27 3 8 -1 125 325.399 4
Lo Low (pH 4.5-6) 1.71 3.56 -35.56 5 8 1 127 327.415 3

Activity (Go SEA)

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

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