UCSF

ZINC26262135

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 32 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) 4.93 13.14 -16.47 1 7 0 86 449.58 9
Hi High (pH 8-9.5) 5.39 12.08 -50.97 0 7 -1 89 448.572 9

Activity (Go SEA)

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