UCSF

ZINC41666204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 4.09 9.42 -13.56 0 6 0 69 385.46 5
Mid Mid (pH 6-8) 4.09 12.23 -46.29 1 6 1 70 386.468 5

Activity (Go SEA)

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