UCSF

ZINC41587429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.75 6.9 -10.87 0 7 0 64 464.562 7
Mid Mid (pH 6-8) 3.75 9.17 -48.44 1 7 1 66 465.57 7
Mid Mid (pH 6-8) 3.75 9.78 -53.52 1 7 1 66 465.57 7
Lo Low (pH 4.5-6) 3.75 12.05 -126.96 2 7 2 67 466.578 7

Activity (Go SEA)

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