UCSF

ZINC40056547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 5.52 13.92 -14.23 0 7 0 82 504.97 6
Lo Low (pH 4.5-6) 5.52 14.33 -34.87 1 7 1 83 505.978 6

Activity (Go SEA)

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