UCSF

ZINC47699017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.31 3.56 -40.96 2 4 1 43 215.317 6
Hi High (pH 8-9.5) 1.31 1.39 -8.67 1 4 0 42 214.309 6

Activity (Go SEA)

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