UCSF

ZINC34631821

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2009 34 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) 4.16 10.58 -45.68 2 9 -1 123 478.964 11
Mid Mid (pH 6-8) 4.16 10.98 -45.96 3 9 0 125 479.972 11
Lo Low (pH 4.5-6) 4.16 11.07 -49.25 4 9 1 126 480.98 11

Activity (Go SEA)

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