UCSF

ZINC48076501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 26 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) 3.28 9.37 -38.03 3 5 1 55 356.49 10
Hi High (pH 8-9.5) 3.28 6.89 -10.49 2 5 0 54 355.482 10

Activity (Go SEA)

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