UCSF

ZINC64549421

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 37 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) 3.00 16.17 -58.3 1 9 1 92 518.606 12
Mid Mid (pH 6-8) 3.00 13.83 -20 0 9 0 90 517.598 12

Activity (Go SEA)

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

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