UCSF

ZINC05830456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 14 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) -2.14 -6.57 -141.07 3 8 -2 142 228.093 3
Mid Mid (pH 6-8) -2.14 -7.73 -49.57 4 8 -1 140 229.101 3

Activity (Go SEA)

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