UCSF

ZINC35454045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 1.51 7.9 -40.7 1 6 1 60 331.44 2
Mid Mid (pH 6-8) 1.51 7.5 -11.66 0 6 0 59 330.432 2

Activity (Go SEA)

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