UCSF

ZINC06885438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 22 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) 3.50 6.09 -18.1 1 4 0 63 378.664 4
Hi High (pH 8-9.5) 3.69 4.59 -45.57 0 4 -1 70 377.656 4

Activity (Go SEA)

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