UCSF

ZINC44652044

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.43 7.28 -46.56 3 3 1 45 285.198 5
Hi High (pH 8-9.5) 3.43 5.91 -5.63 2 3 0 41 284.19 5

Activity (Go SEA)

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