UCSF

ZINC27746819

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 31 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) 3.62 8.86 -47.67 0 6 -1 78 441.504 8
Mid Mid (pH 6-8) 3.62 8.78 -13.81 1 6 0 76 442.512 8

Activity (Go SEA)

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