UCSF

ZINC23136177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 24 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) 3.51 5.08 -22.77 3 6 0 88 348.786 6
Hi High (pH 8-9.5) 3.51 6.11 -56.69 2 6 -1 90 347.778 6

Activity (Go SEA)

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