UCSF

ZINC28182816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 35 No

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) 5.80 14.39 -36.8 1 6 0 72 476.617 9
Mid Mid (pH 6-8) 5.80 13.84 -58.14 2 6 1 69 477.625 9

Activity (Go SEA)

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