UCSF

ZINC25498801

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 No

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) 5.26 10.68 -43.15 0 7 -1 104 396.448 7
Mid Mid (pH 6-8) 4.80 11.79 -11.32 1 7 0 101 397.456 7

Activity (Go SEA)

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