UCSF

ZINC68259008

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 25 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) 3.00 11.26 -46.63 1 3 1 25 351.392 6
Hi High (pH 8-9.5) 3.00 8.78 -10.25 0 3 0 24 350.384 6

Activity (Go SEA)

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