UCSF

ZINC39911960

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 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) 5.75 11.07 -14.62 2 7 0 88 477.605 9
Hi High (pH 8-9.5) 5.52 11.4 -57.88 0 7 -1 87 476.597 9
Hi High (pH 8-9.5) 5.52 11.41 -51.69 0 7 -1 87 476.597 9
Hi High (pH 8-9.5) 5.75 12.07 -44.14 1 7 -1 91 476.597 9

Activity (Go SEA)

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