UCSF

ZINC26524082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 30 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) 4.12 6.59 -47.36 1 6 -1 87 447.895 7
Mid Mid (pH 6-8) 4.12 6.52 -18.38 2 6 0 85 448.903 7

Activity (Go SEA)

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