UCSF

ZINC37833554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.49 9.64 -44.62 1 3 1 25 295.834 4
Mid Mid (pH 6-8) 2.49 7.75 -8.56 0 3 0 24 294.826 4

Activity (Go SEA)

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