UCSF

ZINC18116629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 21 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) 3.15 7.76 -14.69 2 5 0 71 324.837 6
Hi High (pH 8-9.5) 3.15 7.6 -42.72 1 5 -1 69 323.829 6

Activity (Go SEA)

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