UCSF

ZINC21982421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) -0.17 2.77 -39.89 5 5 1 77 237.327 4
Hi High (pH 8-9.5) -0.17 0.24 -13.61 4 5 0 76 236.319 4

Activity (Go SEA)

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