UCSF

ZINC40662759

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 30 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) 5.99 15.06 -49.25 0 3 -1 57 429.646 6
Lo Low (pH 4.5-6) 5.99 13.23 -7.35 1 3 0 54 430.654 6

Activity (Go SEA)

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

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