UCSF

ZINC06909715

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 19 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) 3.11 8.07 -14.26 1 5 0 68 277.349 6
Hi High (pH 8-9.5) 3.11 7.91 -43.33 0 5 -1 66 276.341 6

Activity (Go SEA)

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