UCSF

ZINC40036967

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 40 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) 7.39 20.11 -15.84 1 6 0 69 532.688 7
Lo Low (pH 4.5-6) 7.39 20.56 -32.29 2 6 1 70 533.696 7

Activity (Go SEA)

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