UCSF

ZINC50106593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 17 Yes

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) 0.99 1.63 -32.77 2 4 1 37 243.371 6
Lo Low (pH 4.5-6) 0.99 3.89 -106.86 3 4 2 38 244.379 6

Activity (Go SEA)

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