UCSF

ZINC41585084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 4.94 11.11 -45.83 2 7 1 77 487.576 6
Mid Mid (pH 6-8) 4.94 9.45 -47.12 0 7 -1 78 485.56 6
Mid Mid (pH 6-8) 4.94 11.67 -30.32 1 7 0 79 486.568 6
Mid Mid (pH 6-8) 4.94 8.85 -11.89 1 7 0 75 486.568 6

Activity (Go SEA)

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