UCSF

ZINC34670923

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.44 3.55 -11.76 1 5 0 51 341.423 9
Lo Low (pH 4.5-6) 2.44 5.86 -47.36 2 5 1 52 342.431 9

Activity (Go SEA)

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