UCSF

ZINC59458638

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 22 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) -1.77 -0.59 -28.99 5 8 0 136 312.37 6
Mid Mid (pH 6-8) -1.77 -0.29 -63.57 6 8 1 137 313.378 6

Activity (Go SEA)

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