UCSF

ZINC27775881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 25 Yes

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) 3.35 9.15 -11.63 1 4 0 49 351.475 6
Mid Mid (pH 6-8) 3.35 11.39 -50.67 2 4 1 50 352.483 6

Activity (Go SEA)

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