UCSF

ZINC20101105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 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) 3.55 11.79 -72.67 1 9 0 120 467.522 10
Hi High (pH 8-9.5) 3.55 9.47 -54.94 0 9 -1 119 466.514 10

Activity (Go SEA)

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