UCSF

ZINC41664856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.25 12.16 -11.54 0 4 0 43 431.919 3
Lo Low (pH 4.5-6) 6.25 15.03 -45.27 1 4 1 44 432.927 3

Activity (Go SEA)

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