UCSF

ZINC41664522

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.80 11.55 -12.45 0 4 0 43 417.892 3
Lo Low (pH 4.5-6) 5.80 14.4 -49.65 1 4 1 44 418.9 3

Activity (Go SEA)

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