UCSF

ZINC06482442

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 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) 3.83 8.76 -42.52 1 3 1 31 294.802 3
Hi High (pH 8-9.5) 3.83 6.43 -6.7 0 3 0 30 293.794 3

Activity (Go SEA)

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