UCSF

ZINC47992136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 19 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) 3.42 6.49 -9.99 1 3 0 46 275.373 5
Hi High (pH 8-9.5) 3.42 6.65 -44.28 0 3 -1 48 274.365 5

Activity (Go SEA)

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