UCSF

ZINC06250961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 30 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) 3.09 -2.15 -14.46 1 6 0 75 442.459 5
Hi High (pH 8-9.5) 3.09 -1.57 -43.72 0 6 -1 77 441.451 5

Activity (Go SEA)

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