UCSF

ZINC33677782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 No

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) 2.43 6.64 -56.16 1 6 -1 90 418.828 8
Lo Low (pH 4.5-6) 2.43 5.34 -18.78 2 6 0 87 419.836 8

Activity (Go SEA)

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