UCSF

ZINC31829319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 20 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) 3.16 5.59 -46.78 3 3 1 40 277.432 5
Mid Mid (pH 6-8) 3.16 7.76 -38.57 3 3 1 40 277.432 5
Mid Mid (pH 6-8) 3.16 8.01 -117.46 4 3 2 41 278.44 5

Activity (Go SEA)

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