UCSF

ZINC38005202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 3.17 4.92 -20.45 3 4 0 72 340.857 5
Mid Mid (pH 6-8) 3.17 4.99 -56.6 2 4 -1 74 339.849 5

Activity (Go SEA)

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