UCSF

ZINC45229094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 22 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) 5.40 12.68 -105.02 3 2 2 21 324.94 9
Hi High (pH 8-9.5) 5.40 11.44 -34.39 2 2 1 16 323.932 9

Activity (Go SEA)

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