UCSF

ZINC36204946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.45 9.79 -53.17 3 6 1 80 442.605 9
Hi High (pH 8-9.5) 3.45 7.72 -11.71 2 6 0 78 441.597 9

Activity (Go SEA)

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