UCSF

ZINC09274193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 5.79 0.58 -17.9 0 7 0 73 491.613 11
Lo Low (pH 4.5-6) 5.79 0.69 -47.22 1 7 1 75 492.621 11

Activity (Go SEA)

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