UCSF

ZINC68064377

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.36 6.96 -34.98 2 3 1 34 275.825 6
Hi High (pH 8-9.5) 3.36 4.89 -5.66 1 3 0 32 274.817 6

Activity (Go SEA)

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