UCSF

ZINC34352228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) -2.31 -2.68 -66.54 6 7 0 140 217.225 6
Hi High (pH 8-9.5) -2.31 -3.01 -45.69 5 7 -1 138 216.217 6

Activity (Go SEA)

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