UCSF

ZINC36691673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 25 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) 2.58 8.61 -26.46 1 7 0 97 360.439 9
Mid Mid (pH 6-8) 2.77 6.38 -49.41 0 7 -1 103 359.431 9

Activity (Go SEA)

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