UCSF

ZINC36221122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 No

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) 2.25 3.8 -25.64 5 4 1 64 195.29 6
Mid Mid (pH 6-8) 2.25 3.28 -5.77 4 4 0 63 194.282 6

Activity (Go SEA)

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