UCSF

ZINC19871782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 3.32 7.31 -12.89 1 4 0 63 288.372 5
Hi High (pH 8-9.5) 3.78 6.46 -44.66 0 4 -1 66 287.364 5
Mid Mid (pH 6-8) 3.32 6.74 -22.03 1 4 0 63 288.372 5

Activity (Go SEA)

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