UCSF

ZINC35404680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 37 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) 5.83 10.85 -12.44 1 6 0 64 523.743 14
Lo Low (pH 4.5-6) 5.83 12.83 -54.34 2 6 1 65 524.751 14

Activity (Go SEA)

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