UCSF

ZINC20357815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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) -2.34 9.26 -80.85 4 9 2 107 426.521 7
Hi High (pH 8-9.5) -2.34 6.98 -28.83 3 9 1 106 425.513 7

Activity (Go SEA)

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