UCSF

ZINC39256161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.47 6.11 -1.59 1 1 0 20 208.345 3

Vendor Notes

Note Type Comments Provided By
MP 79 TCI

Activity (Go SEA)

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