UCSF

ZINC25462846

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 4.26 10.83 -44.71 2 3 1 34 406.319 4
Mid Mid (pH 6-8) 4.26 8.6 -7.89 1 3 0 32 405.311 4

Activity (Go SEA)

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