UCSF

ZINC14162795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 38 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) 5.42 15.36 -49.72 2 6 1 63 532.73 10
Hi High (pH 8-9.5) 5.42 13.14 -12.77 1 6 0 62 531.722 10

Activity (Go SEA)

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