UCSF

ZINC49503807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 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) 5.94 9 -16.63 1 6 0 84 502.633 5
Mid Mid (pH 6-8) 5.94 9.69 -55.82 0 6 -1 86 501.625 5

Activity (Go SEA)

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