UCSF

ZINC48736898

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 1.99 4.31 -19.54 2 5 0 70 264.325 6
Hi High (pH 8-9.5) 1.99 5.32 -65.67 1 5 -1 72 263.317 6

Activity (Go SEA)

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