UCSF

ZINC06926044

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 4.28 5.36 -11.07 2 4 0 65 314.341 2
Hi High (pH 8-9.5) 4.74 3.6 -43.43 1 4 -1 69 313.333 2

Activity (Go SEA)

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