UCSF

ZINC33779382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 29 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) 2.60 3.14 -11.41 1 8 0 93 431.905 6
Lo Low (pH 4.5-6) 2.60 3.63 -45.84 2 8 1 95 432.913 6

Activity (Go SEA)

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