UCSF

ZINC48622666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 2.42 6.21 -16.07 1 4 0 59 283.356 1
Hi High (pH 8-9.5) 2.88 4.67 -56.24 0 4 -1 62 282.348 1

Activity (Go SEA)

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