UCSF

ZINC37049361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.99 5.66 -91.09 4 3 2 35 255.45 6
Hi High (pH 8-9.5) 1.99 3.41 -41.15 3 3 1 34 254.442 6
Hi High (pH 8-9.5) 1.99 5.63 -82.75 4 3 2 35 255.45 6

Activity (Go SEA)

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