UCSF

ZINC48652580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 4.10 6.43 -34.51 0 4 -1 72 417.635 3
Lo Low (pH 4.5-6) 4.10 6.36 -9.48 1 4 0 70 418.643 3

Activity (Go SEA)

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