UCSF

ZINC30869477

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 31 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) 3.85 9.66 -23.41 1 7 0 82 435.505 6
Hi High (pH 8-9.5) 3.85 9.73 -57.65 0 7 -1 84 434.497 6

Activity (Go SEA)

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