UCSF

ZINC20303475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) 0.06 5.1 -108.43 3 4 1 61 201.29 6
Mid Mid (pH 6-8) 0.06 2.75 -54.59 2 4 0 60 200.282 6

Activity (Go SEA)

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