UCSF

ZINC58541779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 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) 4.92 13.46 -58.31 0 6 -1 81 430.839 8
Mid Mid (pH 6-8) 3.73 14.4 -18.81 0 6 0 75 431.847 9

Activity (Go SEA)

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

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