UCSF

ZINC35015664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.67 11.57 -55.32 0 5 -1 76 371.453 5
Lo Low (pH 4.5-6) 2.67 9.39 -9.4 1 5 0 73 372.461 5

Activity (Go SEA)

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