UCSF

ZINC07691315

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2006 26 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) 2.65 7.5 -48.92 2 6 1 61 379.502 9
Mid Mid (pH 6-8) 2.65 5.25 -13.76 1 6 0 60 378.494 9

Activity (Go SEA)

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