UCSF

ZINC41585534

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 4.71 11.73 -58.85 2 7 1 77 505.566 6
Mid Mid (pH 6-8) 4.71 12.29 -37.98 1 7 0 79 504.558 6
Mid Mid (pH 6-8) 4.71 9.48 -13.49 1 7 0 75 504.558 6
Mid Mid (pH 6-8) 4.71 10.06 -43.09 0 7 -1 78 503.55 6

Activity (Go SEA)

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