UCSF

ZINC04156809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 Yes

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) 6.13 17.33 -27.94 2 6 1 66 470.593 9
Mid Mid (pH 6-8) 6.13 17.39 -17.98 1 6 0 65 469.585 9

Activity (Go SEA)

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