UCSF

ZINC19988794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 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) 4.86 6.88 -20.12 4 7 0 118 502.687 5
Hi High (pH 8-9.5) 5.31 5.5 -50.47 3 7 -1 121 501.679 5

Activity (Go SEA)

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