UCSF

ZINC39816119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 18 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) -4.06 -1.32 -110 5 9 -1 166 260.226 8
Hi High (pH 8-9.5) -4.06 -1.73 -101.52 4 9 -2 164 259.218 8

Activity (Go SEA)

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