UCSF

ZINC16896952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 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) 6.36 12.04 -23.95 2 7 0 101 507.637 9
Hi High (pH 8-9.5) 6.81 10.72 -58.62 1 7 -1 104 506.629 9

Activity (Go SEA)

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