UCSF

ZINC68038652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2011 25 Yes

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) 3.44 7.83 -45.33 2 5 1 54 384.884 4
Hi High (pH 8-9.5) 3.44 5.47 -43.67 0 5 -1 55 382.868 4
Hi High (pH 8-9.5) 3.44 5.49 -7.75 1 5 0 53 383.876 4
Mid Mid (pH 6-8) 3.44 7.83 -58.33 1 5 0 56 383.876 4

Activity (Go SEA)

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