UCSF

ZINC35865530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 1.38 3.41 -12.87 1 6 0 62 404.429 9
Mid Mid (pH 6-8) 1.38 5.75 -46.96 2 6 1 63 405.437 9

Activity (Go SEA)

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