UCSF

ZINC37824038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.10 3.76 -83.03 3 5 2 45 258.41 6
Hi High (pH 8-9.5) -0.10 2.4 -37.33 2 5 1 40 257.402 6
Hi High (pH 8-9.5) -0.10 2.32 -38.45 2 5 1 40 257.402 6
Lo Low (pH 4.5-6) -0.10 6.23 -165.04 4 5 3 46 259.418 6
Lo Low (pH 4.5-6) -0.10 3.83 -90.56 3 5 2 45 258.41 6

Activity (Go SEA)

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