UCSF

ZINC11613767

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 20 Yes

Other Names:

MFCD09761291

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) 3.38 -2.41 -12.78 1 4 0 59 290.388 3
Hi High (pH 8-9.5) 3.38 -1.86 -47.46 0 4 -1 61 289.38 3
Lo Low (pH 4.5-6) 3.38 -2 -34.17 2 4 1 60 291.396 3

Activity (Go SEA)

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