UCSF

ZINC20905506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 Yes

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) 3.34 11.73 -81.02 2 5 2 32 406.659 6
Hi High (pH 8-9.5) 3.34 9.69 -43.71 1 5 1 31 405.651 6

Activity (Go SEA)

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