UCSF

ZINC41655476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.49 10.2 -11.35 0 7 0 89 434.473 5
Lo Low (pH 4.5-6) 4.49 13.06 -61.46 1 7 1 90 435.481 5

Activity (Go SEA)

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