UCSF

ZINC85911983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2013 43 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) -4.83 -10.14 -27.95 9 16 0 292 611.529 7
Mid Mid (pH 6-8) -4.83 -11.35 -26.23 10 16 0 289 612.537 7

Activity (Go SEA)

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

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