UCSF

ZINC16894971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 29 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) 4.54 8.31 -26.75 2 7 0 101 449.627 6
Hi High (pH 8-9.5) 5.00 6.95 -64.22 1 7 -1 104 448.619 6
Mid Mid (pH 6-8) 4.54 8.73 -22.31 2 7 0 101 449.627 6

Activity (Go SEA)

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