UCSF

ZINC05389924

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 2.48 7.58 -55.76 0 6 -1 89 312.301 6
Lo Low (pH 4.5-6) 2.48 7.86 -70.41 1 6 0 90 313.309 6

Activity (Go SEA)

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