UCSF

ZINC16999511

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 17 No

Other Names:

MFCD00439605

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) 4.46 6.8 -5.07 1 2 0 33 245.709 2
Hi High (pH 8-9.5) 4.46 6.31 -36.34 0 2 -1 35 244.701 2
Hi High (pH 8-9.5) 4.46 7.57 -42.88 0 2 -1 35 244.701 2
Lo Low (pH 4.5-6) 4.46 5.94 -33.21 2 2 1 34 246.717 2
Lo Low (pH 4.5-6) 4.47 7.26 -30.66 2 2 1 34 246.717 2

Activity (Go SEA)

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