UCSF

ZINC35844749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.92 18.94 -38.66 1 4 1 38 475.697 13
Hi High (pH 8-9.5) 6.92 16.89 -10.97 0 4 0 37 474.689 13

Activity (Go SEA)

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