UCSF

ZINC09738284

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 27 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) 0.73 6.62 -45.5 3 7 1 83 373.477 7
Hi High (pH 8-9.5) 0.92 5.29 -47.62 2 7 0 89 372.469 7

Activity (Go SEA)

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