UCSF

ZINC40046568

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 1.32 3.03 -68.97 1 8 -1 112 386.38 8
Lo Low (pH 4.5-6) 1.32 2.14 -17.21 2 8 0 109 387.388 8

Activity (Go SEA)

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