UCSF

ZINC39724050

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 25 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) 5.25 11.1 -18.61 1 4 0 55 389.933 5
Hi High (pH 8-9.5) 5.44 9.33 -52.26 0 4 -1 61 388.925 5

Activity (Go SEA)

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