UCSF

ZINC35744438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 28 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) 2.25 8.08 -59.13 3 6 1 80 400.524 8
Hi High (pH 8-9.5) 2.25 5.71 -17.66 2 6 0 78 399.516 8
Hi High (pH 8-9.5) 2.70 5.28 -53.97 2 6 0 83 399.516 8

Activity (Go SEA)

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