UCSF

ZINC06222340

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 22 Yes

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) 4.72 7.58 -10.94 2 4 0 62 330.796 3
Hi High (pH 8-9.5) 4.72 8.59 -49.85 1 4 -1 65 329.788 3

Activity (Go SEA)

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