UCSF

ZINC35866216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 26 Yes

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) 0.66 5.02 -40.09 2 6 1 57 362.494 5
Lo Low (pH 4.5-6) 0.66 7.34 -100.72 3 6 2 59 363.502 5

Activity (Go SEA)

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