UCSF

ZINC41664459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.23 6.14 -12.64 0 6 0 55 392.455 4
Mid Mid (pH 6-8) 3.23 8.41 -47.23 1 6 1 56 393.463 4
Lo Low (pH 4.5-6) 3.23 8.98 -47.29 1 6 1 56 393.463 4

Activity (Go SEA)

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