UCSF

ZINC39744868

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 1.33 7.59 -25.24 1 9 0 104 420.52 8
Hi High (pH 8-9.5) 1.51 6.39 -55.9 0 9 -1 110 419.512 8

Activity (Go SEA)

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