UCSF

ZINC40109450

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 38 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) 7.31 15.64 -63.31 0 5 -1 70 514.617 10
Lo Low (pH 4.5-6) 7.31 14.88 -15.95 1 5 0 67 515.625 10

Activity (Go SEA)

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