UCSF

ZINC34669071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 3.12 9.33 -11.88 0 6 0 43 479.625 6
Mid Mid (pH 6-8) 3.12 11.58 -60.41 1 6 1 44 480.633 6
Mid Mid (pH 6-8) 3.12 11.53 -44.82 1 6 1 44 480.633 6
Mid Mid (pH 6-8) 3.12 13.78 -115.04 2 6 2 45 481.641 6

Activity (Go SEA)

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