UCSF

ZINC39724047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 25 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) 5.48 10.67 -18.98 1 4 0 55 410.351 5
Hi High (pH 8-9.5) 5.67 8.89 -47.47 0 4 -1 61 409.343 5

Activity (Go SEA)

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