UCSF

ZINC07403675

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.91 5.27 -42.77 0 4 -1 57 328.772 5
Mid Mid (pH 6-8) 3.91 5.2 -8.39 1 4 0 55 329.78 5

Activity (Go SEA)

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