UCSF

ZINC39264756

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 3.29 7.78 -17.07 4 8 0 108 407.474 10
Lo Low (pH 4.5-6) 3.29 8.17 -41.66 5 8 1 110 408.482 10

Activity (Go SEA)

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