UCSF

ZINC37243650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -2.58 -5.68 -58.05 7 8 1 146 301.348 6
Hi High (pH 8-9.5) -2.39 -6.96 -58.9 6 8 0 152 300.34 6
Hi High (pH 8-9.5) -2.58 -6.06 -14.17 6 8 0 144 300.34 6

Activity (Go SEA)

Rings

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