UCSF

ZINC13519322

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 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) 3.57 8.02 -13.74 2 3 0 33 324.808 6
Hi High (pH 8-9.5) 4.25 7.63 -33.53 1 3 -1 34 323.8 5

Activity (Go SEA)

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