UCSF

ZINC19876710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 0.42 6.65 -47.72 2 4 1 52 262.329 3
Mid Mid (pH 6-8) 0.42 5.46 -9.69 1 4 0 48 261.321 3

Activity (Go SEA)

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