UCSF

ZINC55120464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 No

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) 2.10 9.68 -45.66 1 5 1 45 330.452 3
Mid Mid (pH 6-8) 2.10 7.8 -9.89 0 5 0 44 329.444 3

Activity (Go SEA)

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