UCSF

ZINC31913215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.41 10.75 -14.38 1 3 0 38 328.415 3
Mid Mid (pH 6-8) 4.41 11.16 -28.55 2 3 1 39 329.423 3

Activity (Go SEA)

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