UCSF

ZINC39261018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 8.00 17.26 -7.87 0 2 0 18 481.473 6
Lo Low (pH 4.5-6) 8.00 17.75 -34.48 1 2 1 19 482.481 6

Activity (Go SEA)

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