UCSF

ZINC09422088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 23 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) -1.22 11.27 -34.15 2 5 1 61 310.425 4
Lo Low (pH 4.5-6) -1.22 11.8 -89.92 3 5 2 62 311.433 4

Activity (Go SEA)

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

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