UCSF

ZINC48327068

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 21 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) 3.73 7.41 -54.63 3 3 1 46 356.19 5
Hi High (pH 8-9.5) 3.73 6.06 -11.42 2 3 0 41 355.182 5

Activity (Go SEA)

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