UCSF

ZINC08549859

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 30 No

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) 2.14 5.02 -67.71 1 7 -1 99 410.446 9
Lo Low (pH 4.5-6) 2.14 4.25 -18.67 2 7 0 96 411.454 9

Activity (Go SEA)

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