UCSF

ZINC36273199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.09 8.02 -42.58 3 6 1 66 339.419 5
Hi High (pH 8-9.5) 3.09 5.59 -11.35 2 6 0 65 338.411 5
Mid Mid (pH 6-8) 3.09 5.29 -28.85 3 6 1 66 339.419 5
Mid Mid (pH 6-8) 3.09 8.37 -90.97 4 6 2 67 340.427 5

Activity (Go SEA)

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