UCSF

ZINC77242953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 18 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) 2.70 9.17 -38.56 1 3 1 25 269.796 5
Hi High (pH 8-9.5) 2.70 6.9 -7.51 0 3 0 24 268.788 5

Activity (Go SEA)

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