UCSF

ZINC65330867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 39 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) 3.49 10.48 -27.99 1 10 0 107 529.597 9
Lo Low (pH 4.5-6) 3.49 12.75 -70.89 2 10 1 108 530.605 9

Activity (Go SEA)

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

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