UCSF

ZINC33662447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 26 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) 2.55 5.82 -45.92 0 6 -1 76 367.406 4
Lo Low (pH 4.5-6) 2.09 7.79 -11.16 1 6 0 73 368.414 4

Activity (Go SEA)

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