UCSF

ZINC33833754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 3.47 8.53 -43.66 3 5 1 67 355.458 5
Mid Mid (pH 6-8) 3.47 6.62 -9.33 2 5 0 66 354.45 5

Activity (Go SEA)

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