UCSF

ZINC35815622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 5.83 15.68 -13.73 0 4 0 33 456.63 8
Lo Low (pH 4.5-6) 5.83 17.45 -44 1 4 1 34 457.638 8

Activity (Go SEA)

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