UCSF

ZINC20130079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 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) 2.03 4.55 -23.64 4 8 0 135 415.471 9
Hi High (pH 8-9.5) 2.03 5.08 -72.6 3 8 -1 138 414.463 9

Activity (Go SEA)

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