UCSF

ZINC49406791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 21 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) 2.13 8.11 -41.56 2 4 1 47 287.383 5
Hi High (pH 8-9.5) 2.13 5.58 -7.64 1 4 0 45 286.375 5

Activity (Go SEA)

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