UCSF

ZINC28368821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 26 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) 6.24 11.11 -47.25 0 3 -1 57 384.238 4
Mid Mid (pH 6-8) 6.24 10.41 -13.54 1 3 0 54 385.246 4

Activity (Go SEA)

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