UCSF

ZINC42049791

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 26 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) 2.42 4.38 -26.43 1 7 0 93 388.474 3
Lo Low (pH 4.5-6) 2.42 4.83 -65.49 2 7 1 95 389.482 3

Activity (Go SEA)

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