UCSF

ZINC43609738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 28 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) 3.53 10.74 -46.32 2 5 1 53 397.861 4
Hi High (pH 8-9.5) 3.53 8.44 -13.78 1 5 0 52 396.853 4

Activity (Go SEA)

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