UCSF

ZINC35761318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 3.20 9.68 -14.81 0 5 0 44 385.552 6
Mid Mid (pH 6-8) 3.20 12.12 -46.37 1 5 1 45 386.56 6

Activity (Go SEA)

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