UCSF

ZINC43212246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 32 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) 1.26 11.69 -48.23 2 7 0 111 434.492 5
Mid Mid (pH 6-8) 1.26 10.52 -58.27 1 7 -1 107 433.484 5

Activity (Go SEA)

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