UCSF

ZINC33708730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 25 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) 3.69 9.17 -15.98 1 5 0 62 377.897 5
Hi High (pH 8-9.5) 3.51 8.1 -42.01 0 5 -1 69 376.889 5

Activity (Go SEA)

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