UCSF

ZINC06484712

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 26 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) 2.48 3.98 -12.98 1 7 0 83 360.362 5
Hi High (pH 8-9.5) 2.48 4.97 -56.8 0 7 -1 86 359.354 5

Activity (Go SEA)

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