UCSF

ZINC49771848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 40 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) -4.07 -6.85 -321.63 6 22 -4 349 635.265 11
Mid Mid (pH 6-8) -4.07 -7.87 -206.15 7 22 -3 347 636.273 11

Activity (Go SEA)

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

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