UCSF

ZINC36839717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.91 8.5 -28.39 2 5 0 77 286.416 10
Hi High (pH 8-9.5) 0.91 7.33 -51.96 1 5 -1 72 285.408 10

Activity (Go SEA)

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