UCSF

ZINC49236612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 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) 2.22 9.75 -11.9 0 4 0 36 274.755 4
Mid Mid (pH 6-8) 2.22 10.26 -45.16 1 4 1 37 275.763 4
Lo Low (pH 4.5-6) 2.22 10.7 -87 2 4 2 38 276.771 4

Activity (Go SEA)

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

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