UCSF

ZINC41727385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 14 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) -0.46 4.46 -34.45 2 4 0 66 203.282 8
Hi High (pH 8-9.5) -0.46 3.23 -48.5 1 4 -1 61 202.274 8

Activity (Go SEA)

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