UCSF

ZINC20838449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 4.82 11.96 -16.51 1 6 0 73 423.567 6
Hi High (pH 8-9.5) 5.01 10.9 -48.56 0 6 -1 79 422.559 6

Activity (Go SEA)

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