UCSF

ZINC17769766

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 25 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) 2.48 10.23 -13.58 1 6 0 63 359.499 7
Lo Low (pH 4.5-6) 2.48 10.98 -29.74 2 6 0 64 360.507 7

Activity (Go SEA)

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