UCSF

ZINC31977936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.99 6.4 -11.5 0 4 0 39 277.364 6
Mid Mid (pH 6-8) 1.99 8.73 -39.25 1 4 1 40 278.372 6

Activity (Go SEA)

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