UCSF

ZINC34932712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.12 9.9 -8.55 2 6 0 65 464.516 6
Lo Low (pH 4.5-6) 4.12 11.68 -45.73 3 6 1 66 465.524 6

Activity (Go SEA)

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