UCSF

ZINC49649687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 24 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) 2.20 5.36 -13.63 1 5 0 66 352.362 3
Mid Mid (pH 6-8) 2.20 5.49 -36.75 0 5 -1 69 351.354 3

Activity (Go SEA)

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