UCSF

ZINC35899180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 21 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) 3.43 7.49 -7.37 1 3 0 38 295.773 4
Lo Low (pH 4.5-6) 3.43 7.96 -40.59 2 3 1 39 296.781 4

Activity (Go SEA)

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