UCSF

ZINC19407610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.80 0.09 -60.82 4 5 1 87 239.226 3
Hi High (pH 8-9.5) -0.80 -0.49 -12.28 3 5 0 85 238.218 3

Activity (Go SEA)

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