UCSF

ZINC60210764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 32 No

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) 4.54 12.63 -14.03 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.72 11.18 -10.89 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 5.13 12.05 -53.79 0 6 -1 88 454.499 6
Mid Mid (pH 6-8) 4.70 12.49 -13.78 0 6 0 82 455.507 6

Activity (Go SEA)

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