UCSF

ZINC27284748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 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) 5.05 9.34 -33.57 2 3 1 34 330.279 5
Hi High (pH 8-9.5) 4.87 9.42 -27.38 1 3 0 40 329.271 5

Activity (Go SEA)

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