UCSF

ZINC20872663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 2.90 7.56 -55.23 3 7 1 83 401.483 9
Hi High (pH 8-9.5) 2.90 6.15 -16.9 2 7 0 78 400.475 9

Activity (Go SEA)

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