UCSF

ZINC07502193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2006 21 No

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) 2.81 10.95 -43.61 3 4 1 43 303.455 8
Mid Mid (pH 6-8) 2.81 10.44 -15.56 2 4 0 42 302.447 8

Activity (Go SEA)

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