UCSF

ZINC50659747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 20 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) 2.06 2.34 -40.82 2 8 -1 133 378.209 4
Lo Low (pH 4.5-6) 2.06 2.28 -15.8 3 8 0 131 379.217 4

Activity (Go SEA)

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

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