UCSF

ZINC23582000

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 21 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) -0.22 5.15 -43.92 2 6 1 65 298.407 4
Hi High (pH 8-9.5) -0.22 3.28 -15.45 1 6 0 64 297.399 4

Activity (Go SEA)

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