UCSF

ZINC59539239

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 14 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) 1.00 1.65 -44.36 6 3 1 66 194.302 5
Lo Low (pH 4.5-6) 1.00 2.22 -96.91 7 3 2 70 195.31 5

Activity (Go SEA)

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