UCSF

ZINC44652958

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 22 No

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) 1.10 4.22 -14.41 2 8 0 116 297.274 4
Lo Low (pH 4.5-6) 1.10 4.68 -46.91 3 8 1 118 298.282 4

Activity (Go SEA)

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