UCSF

ZINC37005960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.66 2.11 -56.96 1 7 -1 107 285.301 5
Mid Mid (pH 6-8) -0.66 2.13 -123.53 0 7 -2 109 284.293 5

Activity (Go SEA)

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