UCSF

ZINC65330466

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 35 Yes

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) 4.39 14.51 -45.37 2 7 1 70 470.597 4
Mid Mid (pH 6-8) 4.39 14.18 -19.66 1 7 0 69 469.589 4

Activity (Go SEA)

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

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