UCSF

ZINC20898928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 0.06 3.39 -19.77 3 9 0 107 392.437 4
Mid Mid (pH 6-8) 0.51 2.34 -55.43 2 9 -1 110 391.429 4

Activity (Go SEA)

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