UCSF

ZINC39229616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 3.63 12.43 -42.66 2 5 1 59 401.534 8
Mid Mid (pH 6-8) 3.63 11.97 -13.3 1 5 0 58 400.526 8

Activity (Go SEA)

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