UCSF

ZINC51234652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.03 3.55 -45.38 2 7 1 72 282.368 6
Mid Mid (pH 6-8) -1.03 1.27 -13.94 1 7 0 70 281.36 6

Activity (Go SEA)

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