UCSF

ZINC40110476

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 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) 1.36 3.24 -64.57 1 10 -1 137 517.58 12
Lo Low (pH 4.5-6) 1.36 2.48 -20.89 2 10 0 134 518.588 12

Activity (Go SEA)

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