UCSF

ZINC21817991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.45 7.63 -47.54 3 2 1 37 260.332 3
Hi High (pH 8-9.5) 2.45 7.31 -4.44 2 2 0 35 259.324 3

Activity (Go SEA)

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