UCSF

ZINC37126532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.49 8.22 -47.31 2 6 1 83 314.793 7
Hi High (pH 8-9.5) 2.49 7.06 -11.65 1 6 0 78 313.785 7

Activity (Go SEA)

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