UCSF

ZINC41666443

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) 3.96 9.64 -13.17 0 6 0 69 385.46 6
Mid Mid (pH 6-8) 3.96 12.67 -45.64 1 6 1 70 386.468 6

Activity (Go SEA)

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