UCSF

ZINC59131830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 19 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) 3.77 6.56 -3.78 1 3 0 33 263.381 4
Mid Mid (pH 6-8) 3.77 6.61 -15.85 2 3 0 34 264.389 4

Activity (Go SEA)

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