UCSF

ZINC43627725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 28 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) 5.26 9.88 -43.86 3 5 1 64 409.616 13
Mid Mid (pH 6-8) 5.26 8.74 -13.34 2 5 0 60 408.608 13

Activity (Go SEA)

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