UCSF

ZINC41667219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.35 7.47 -16.89 0 8 0 87 431.485 9
Lo Low (pH 4.5-6) 2.35 10.39 -47.55 1 8 1 89 432.493 9

Activity (Go SEA)

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