UCSF

ZINC46476560

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 24 Yes

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) 3.42 7 -9.79 0 5 0 52 364.854 6
Lo Low (pH 4.5-6) 3.42 9.05 -47.65 1 5 1 53 365.862 6

Activity (Go SEA)

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