UCSF

ZINC21698272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.31 8.96 -44.02 3 6 1 68 401.437 6
Hi High (pH 8-9.5) 2.31 5.9 -8.32 2 6 0 66 400.429 6
Hi High (pH 8-9.5) 2.49 6.11 -48.5 1 6 -1 73 399.421 6

Activity (Go SEA)

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