UCSF

ZINC04059661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.96 1.79 -7.17 0 5 0 64 439.596 10
Mid Mid (pH 6-8) 7.14 0.89 -8.48 0 5 0 64 439.596 10
Mid Mid (pH 6-8) 6.96 1.77 -10.41 0 5 0 64 439.596 10

Activity (Go SEA)

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