UCSF

ZINC21804961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.37 4.11 -6.74 1 6 0 70 330.182 5
Mid Mid (pH 6-8) 2.37 6.46 -50.14 2 6 1 72 331.19 5

Activity (Go SEA)

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