UCSF

ZINC63722829

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 20 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) 2.91 8.49 -86.09 3 4 2 38 285.476 9
Hi High (pH 8-9.5) 2.91 6.49 -42.03 2 4 1 37 284.468 9

Activity (Go SEA)

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